REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1eyy_1_B DATA FIRST_RESID 7 DATA SEQUENCE NVFYATNAFT GEALPLAFPV HTEVEVNQAA TAAAKVARDF RRLNNSKRAS DATA SEQUENCE LLRTIASELE ARSDDIIARA HLETALPEVR LTGEIARTAN QLRLFADVVN DATA SEQUENCE SGSYHQAILD TPNPTRAPLP KPDIRRQQIA LGPVAVFGAS NFPLAFSAAG DATA SEQUENCE GDTASALAAG CPVIVKGHTA HPGTSQIVAE CIEQALKQEQ LPQAIFTLLQ DATA SEQUENCE GNQRALGQAL VSHPEIKAVG FTGSVGGGRA LFNLAHERPE PIPFYGELGA DATA SEQUENCE INPTFIFPSA MRAKADLADQ FVASMTMGCG QFCTKPGVVF ALNTPETQAF DATA SEQUENCE IETAQSLIRQ QSPSTLLTPG IRDSYQSQVV SRGSDDGIDV TFSQAESPCV DATA SEQUENCE ASALFVTSSE NWRKHPAWEE EIFGPQSLIV VCENVADMLS LSEMLAGSLT DATA SEQUENCE ATIHATEEDY PQVSQLIPRL EEIAGRLVFN GWPTGVEVGY AMVHGGPYPA DATA SEQUENCE STHSASTSVG AEAIHRWLRP VAYQALPESL LPDSLKAENP LEIARAVDGK DATA SEQUENCE AA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 N HA 0.000 nan 4.740 nan 0.000 0.220 7 N C 0.000 175.533 175.510 0.038 0.000 1.280 7 N CA 0.000 53.072 53.050 0.037 0.000 0.885 7 N CB 0.000 38.511 38.487 0.040 0.000 1.341 8 V N -1.366 118.579 119.914 0.052 0.000 3.206 8 V HA 0.978 5.097 4.120 -0.001 0.000 0.305 8 V C -1.419 174.755 176.094 0.132 0.000 1.257 8 V CA -0.868 61.448 62.300 0.027 0.000 1.057 8 V CB 1.988 33.716 31.823 -0.157 0.000 1.075 8 V HN 0.635 nan 8.190 nan 0.000 0.443 9 F N -0.618 119.215 119.950 -0.195 0.000 2.686 9 F HA 0.917 5.444 4.527 -0.001 0.000 0.311 9 F C -1.943 173.734 175.800 -0.205 0.000 1.128 9 F CA -1.534 56.413 58.000 -0.088 0.000 0.946 9 F CB 1.269 40.282 39.000 0.023 0.000 1.336 9 F HN 0.603 nan 8.300 nan 0.000 0.457 10 Y N 1.227 121.567 120.300 0.066 0.000 2.509 10 Y HA 0.766 5.316 4.550 -0.001 0.000 0.341 10 Y C 0.411 176.390 175.900 0.131 0.000 1.038 10 Y CA -1.046 57.059 58.100 0.008 0.000 1.089 10 Y CB 1.866 40.339 38.460 0.021 0.000 1.241 10 Y HN 1.021 nan 8.280 nan 0.000 0.468 11 A N 0.825 123.831 122.820 0.310 0.000 2.366 11 A HA 0.546 4.866 4.320 -0.001 0.000 0.249 11 A C -0.242 177.466 177.584 0.207 0.000 1.084 11 A CA -0.295 51.882 52.037 0.234 0.000 0.794 11 A CB -0.030 19.092 19.000 0.205 0.000 1.034 11 A HN 0.691 nan 8.150 nan 0.000 0.491 12 T N 2.520 117.167 114.554 0.155 0.000 2.767 12 T HA 0.200 4.549 4.350 -0.001 0.000 0.284 12 T C 0.308 175.050 174.700 0.069 0.000 0.973 12 T CA -0.517 61.649 62.100 0.110 0.000 0.996 12 T CB 0.399 69.324 68.868 0.094 0.000 0.927 12 T HN 0.672 nan 8.240 nan 0.000 0.456 13 N N 2.323 121.062 118.700 0.065 0.000 2.434 13 N HA 0.045 4.784 4.740 -0.001 0.000 0.268 13 N C 1.211 176.719 175.510 -0.004 0.000 1.256 13 N CA -0.167 52.916 53.050 0.056 0.000 0.914 13 N CB 0.953 39.492 38.487 0.088 0.000 1.088 13 N HN 0.739 nan 8.380 nan 0.000 0.478 14 A N 4.301 127.048 122.820 -0.121 0.000 2.070 14 A HA -0.112 4.208 4.320 -0.001 0.000 0.220 14 A C 1.399 178.776 177.584 -0.346 0.000 1.159 14 A CA 1.061 52.926 52.037 -0.287 0.000 0.656 14 A CB -0.397 18.311 19.000 -0.488 0.000 0.800 14 A HN 0.698 nan 8.150 nan 0.000 0.453 15 F N -0.325 119.595 119.950 -0.050 0.000 2.530 15 F HA 0.035 4.562 4.527 -0.001 0.000 0.292 15 F C 2.550 178.338 175.800 -0.020 0.000 1.109 15 F CA 1.510 59.484 58.000 -0.043 0.000 1.450 15 F CB -0.039 38.928 39.000 -0.056 0.000 1.114 15 F HN 0.325 nan 8.300 nan 0.000 0.560 16 T N -5.095 109.549 114.554 0.150 0.000 2.955 16 T HA 0.449 4.799 4.350 -0.001 0.000 0.251 16 T C 1.810 176.543 174.700 0.055 0.000 1.002 16 T CA 0.593 62.748 62.100 0.092 0.000 0.970 16 T CB 0.492 69.408 68.868 0.081 0.000 1.091 16 T HN 0.315 nan 8.240 nan 0.000 0.495 17 G N 1.468 110.295 108.800 0.045 0.000 2.199 17 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.254 17 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.254 17 G C -0.134 174.791 174.900 0.041 0.000 0.982 17 G CA 0.219 45.341 45.100 0.037 0.000 0.632 17 G HN 0.685 nan 8.290 nan 0.000 0.529 18 E N 0.412 120.636 120.200 0.040 0.000 2.312 18 E HA 0.631 4.980 4.350 -0.001 0.000 0.259 18 E C 0.702 177.324 176.600 0.037 0.000 1.122 18 E CA -0.255 56.163 56.400 0.029 0.000 0.922 18 E CB 1.043 30.753 29.700 0.017 0.000 1.109 18 E HN 0.619 nan 8.360 nan 0.000 0.442 19 A N 1.612 124.440 122.820 0.013 0.000 2.407 19 A HA 0.328 4.647 4.320 -0.001 0.000 0.248 19 A C -0.305 177.292 177.584 0.022 0.000 1.082 19 A CA -0.244 51.807 52.037 0.023 0.000 0.785 19 A CB 0.134 19.084 19.000 -0.083 0.000 1.020 19 A HN 0.473 nan 8.150 nan 0.000 0.489 20 L N 3.128 124.406 121.223 0.092 0.000 2.344 20 L HA 0.421 4.761 4.340 -0.001 0.000 0.272 20 L C -1.668 175.269 176.870 0.112 0.000 1.035 20 L CA -2.045 52.853 54.840 0.097 0.000 0.807 20 L CB 1.575 43.716 42.059 0.137 0.000 1.237 20 L HN 0.577 nan 8.230 nan 0.000 0.442 21 P HA 0.145 nan 4.420 nan 0.000 0.271 21 P C -0.887 176.454 177.300 0.070 0.000 1.233 21 P CA -0.175 62.961 63.100 0.061 0.000 0.789 21 P CB 0.740 32.454 31.700 0.023 0.000 0.951 22 L N -2.825 118.406 121.223 0.012 0.000 1.997 22 L HA -0.106 4.233 4.340 -0.001 0.000 0.543 22 L C -0.125 176.347 176.870 -0.664 0.000 1.001 22 L CA -0.297 54.371 54.840 -0.287 0.000 1.210 22 L CB -1.658 40.191 42.059 -0.351 0.000 1.886 22 L HN 0.629 nan 8.230 nan 0.000 0.996 23 A N 4.088 126.447 122.820 -0.767 0.000 2.304 23 A HA 0.905 5.225 4.320 -0.001 0.000 0.301 23 A C -0.797 176.069 177.584 -1.196 0.000 1.132 23 A CA -0.109 51.211 52.037 -1.195 0.000 0.819 23 A CB 0.511 19.015 19.000 -0.827 0.000 1.094 23 A HN 0.389 nan 8.150 nan 0.000 0.492 24 F N 2.097 121.610 119.950 -0.728 0.000 2.508 24 F HA 0.520 5.046 4.527 -0.001 0.000 0.325 24 F C -1.988 173.602 175.800 -0.350 0.000 1.090 24 F CA -2.438 55.222 58.000 -0.566 0.000 0.945 24 F CB 2.053 40.545 39.000 -0.846 0.000 1.156 24 F HN 0.354 nan 8.300 nan 0.000 0.463 25 P HA 0.112 nan 4.420 nan 0.000 0.274 25 P C -0.730 176.534 177.300 -0.059 0.000 1.231 25 P CA -0.148 62.885 63.100 -0.112 0.000 0.790 25 P CB 1.611 33.164 31.700 -0.245 0.000 0.951 26 V N 3.984 123.889 119.914 -0.015 0.000 2.270 26 V HA 0.155 4.275 4.120 -0.001 0.000 0.263 26 V C 0.659 176.743 176.094 -0.017 0.000 1.066 26 V CA -0.367 61.929 62.300 -0.007 0.000 0.857 26 V CB -1.194 30.643 31.823 0.023 0.000 1.099 26 V HN 0.546 nan 8.190 nan 0.000 0.476 27 H N 2.487 121.582 119.070 0.042 0.000 2.690 27 H HA 0.481 5.036 4.556 -0.001 0.000 0.365 27 H C 0.860 176.185 175.328 -0.004 0.000 1.142 27 H CA 0.329 56.385 56.048 0.013 0.000 1.417 27 H CB 1.188 30.950 29.762 -0.001 0.000 1.446 27 H HN 0.724 nan 8.280 nan 0.000 0.599 28 T N -2.055 112.582 114.554 0.139 0.000 2.693 28 T HA 0.115 4.465 4.350 -0.001 0.000 0.278 28 T C 1.140 175.866 174.700 0.042 0.000 0.994 28 T CA -0.983 61.158 62.100 0.068 0.000 1.033 28 T CB 1.296 70.195 68.868 0.051 0.000 1.342 28 T HN 0.723 nan 8.240 nan 0.000 0.538 29 E N -0.376 119.846 120.200 0.036 0.000 2.219 29 E HA -0.132 4.218 4.350 -0.001 0.000 0.198 29 E C 1.864 178.481 176.600 0.027 0.000 0.998 29 E CA 1.100 57.523 56.400 0.038 0.000 0.818 29 E CB -0.282 29.441 29.700 0.040 0.000 0.741 29 E HN 0.482 nan 8.360 nan 0.000 0.477 30 V N 0.841 120.766 119.914 0.018 0.000 2.261 30 V HA -0.252 3.867 4.120 -0.001 0.000 0.246 30 V C 1.959 178.035 176.094 -0.031 0.000 1.047 30 V CA 2.245 64.548 62.300 0.004 0.000 1.015 30 V CB -0.449 31.380 31.823 0.010 0.000 0.642 30 V HN 0.230 nan 8.190 nan 0.000 0.446 31 E N -0.070 120.094 120.200 -0.059 0.000 2.150 31 E HA -0.123 4.226 4.350 -0.001 0.000 0.193 31 E C 2.082 178.582 176.600 -0.167 0.000 0.985 31 E CA 0.923 57.228 56.400 -0.158 0.000 0.814 31 E CB -0.466 29.040 29.700 -0.324 0.000 0.752 31 E HN 0.411 nan 8.360 nan 0.000 0.466 32 V N 1.749 121.597 119.914 -0.109 0.000 2.255 32 V HA -0.317 3.802 4.120 -0.001 0.000 0.247 32 V C 1.775 177.766 176.094 -0.171 0.000 1.051 32 V CA 1.962 64.191 62.300 -0.119 0.000 1.018 32 V CB -0.591 31.219 31.823 -0.021 0.000 0.641 32 V HN 0.306 nan 8.190 nan 0.000 0.445 33 N N 0.162 118.830 118.700 -0.053 0.000 2.061 33 N HA -0.232 4.507 4.740 -0.001 0.000 0.193 33 N C 1.910 177.352 175.510 -0.114 0.000 1.030 33 N CA 1.796 54.839 53.050 -0.013 0.000 0.856 33 N CB -0.471 38.078 38.487 0.104 0.000 1.023 33 N HN 0.620 nan 8.380 nan 0.000 0.424 34 Q N 0.376 120.116 119.800 -0.100 0.000 2.061 34 Q HA -0.027 4.312 4.340 -0.001 0.000 0.204 34 Q C 2.194 178.103 176.000 -0.152 0.000 0.984 34 Q CA 1.664 57.403 55.803 -0.106 0.000 0.846 34 Q CB -0.221 28.458 28.738 -0.098 0.000 0.902 34 Q HN 0.425 nan 8.270 nan 0.000 0.421 35 A N 1.269 123.970 122.820 -0.198 0.000 1.858 35 A HA -0.150 4.169 4.320 -0.001 0.000 0.216 35 A C 2.346 179.782 177.584 -0.246 0.000 1.190 35 A CA 1.740 53.643 52.037 -0.223 0.000 0.617 35 A CB -0.963 17.884 19.000 -0.255 0.000 0.827 35 A HN 0.408 nan 8.150 nan 0.000 0.443 36 A N -1.141 121.476 122.820 -0.339 0.000 1.902 36 A HA -0.099 4.221 4.320 -0.001 0.000 0.217 36 A C 2.315 179.743 177.584 -0.260 0.000 1.181 36 A CA 2.370 54.162 52.037 -0.407 0.000 0.623 36 A CB -1.339 17.102 19.000 -0.931 0.000 0.818 36 A HN 0.438 nan 8.150 nan 0.000 0.443 37 T N 0.210 114.639 114.554 -0.207 0.000 2.746 37 T HA -0.029 4.321 4.350 -0.001 0.000 0.267 37 T C 2.209 176.864 174.700 -0.076 0.000 1.039 37 T CA 1.659 63.710 62.100 -0.082 0.000 1.142 37 T CB -0.423 68.421 68.868 -0.039 0.000 0.866 37 T HN 0.599 nan 8.240 nan 0.000 0.444 38 A N 1.310 124.070 122.820 -0.099 0.000 1.898 38 A HA 0.234 4.553 4.320 -0.001 0.000 0.216 38 A C 2.641 180.168 177.584 -0.095 0.000 1.181 38 A CA 1.709 53.694 52.037 -0.087 0.000 0.620 38 A CB -1.073 17.869 19.000 -0.097 0.000 0.819 38 A HN 0.493 nan 8.150 nan 0.000 0.442 39 A N 0.046 122.791 122.820 -0.126 0.000 1.883 39 A HA 0.120 4.439 4.320 -0.001 0.000 0.217 39 A C 2.513 180.048 177.584 -0.081 0.000 1.186 39 A CA 2.208 54.167 52.037 -0.130 0.000 0.624 39 A CB -1.076 17.825 19.000 -0.165 0.000 0.822 39 A HN 1.084 nan 8.150 nan 0.000 0.444 40 A N -0.363 122.419 122.820 -0.064 0.000 1.933 40 A HA -0.187 4.132 4.320 -0.001 0.000 0.218 40 A C 2.115 179.694 177.584 -0.009 0.000 1.175 40 A CA 2.032 54.055 52.037 -0.022 0.000 0.628 40 A CB -0.464 18.532 19.000 -0.006 0.000 0.814 40 A HN 0.563 nan 8.150 nan 0.000 0.444 41 K N -0.012 120.376 120.400 -0.020 0.000 2.209 41 K HA -0.099 4.220 4.320 -0.001 0.000 0.204 41 K C 1.370 177.970 176.600 -0.000 0.000 1.048 41 K CA 1.666 57.948 56.287 -0.009 0.000 0.940 41 K CB -0.163 32.326 32.500 -0.017 0.000 0.729 41 K HN 0.501 nan 8.250 nan 0.000 0.451 42 V N -3.621 116.286 119.914 -0.011 0.000 3.578 42 V HA 0.353 4.472 4.120 -0.001 0.000 0.290 42 V C 1.648 177.777 176.094 0.058 0.000 1.376 42 V CA 0.490 62.795 62.300 0.008 0.000 1.083 42 V CB 0.181 31.981 31.823 -0.039 0.000 0.911 42 V HN 0.182 nan 8.190 nan 0.000 0.433 43 A N 1.624 124.476 122.820 0.054 0.000 1.865 43 A HA -0.222 4.098 4.320 -0.001 0.000 0.217 43 A C 2.399 180.065 177.584 0.136 0.000 1.191 43 A CA 2.378 54.478 52.037 0.105 0.000 0.623 43 A CB -0.642 18.398 19.000 0.065 0.000 0.826 43 A HN 0.582 nan 8.150 nan 0.000 0.444 44 R N -0.481 120.075 120.500 0.092 0.000 2.080 44 R HA -0.185 4.154 4.340 -0.001 0.000 0.236 44 R C 1.595 177.954 176.300 0.099 0.000 1.137 44 R CA 2.024 58.175 56.100 0.084 0.000 0.943 44 R CB -0.422 29.915 30.300 0.062 0.000 0.846 44 R HN 0.483 nan 8.270 nan 0.000 0.431 45 D N -0.318 120.146 120.400 0.107 0.000 2.178 45 D HA -0.177 4.463 4.640 -0.001 0.000 0.201 45 D C 1.591 177.995 176.300 0.173 0.000 0.980 45 D CA 0.912 54.981 54.000 0.115 0.000 0.842 45 D CB -0.230 40.630 40.800 0.101 0.000 0.948 45 D HN 0.197 nan 8.370 nan 0.000 0.472 46 F N 2.266 122.230 119.950 0.022 0.000 2.146 46 F HA -0.104 4.422 4.527 -0.001 0.000 0.298 46 F C 2.279 178.101 175.800 0.038 0.000 1.096 46 F CA 1.196 59.210 58.000 0.024 0.000 1.275 46 F CB -0.106 38.900 39.000 0.010 0.000 1.008 46 F HN -0.090 nan 8.300 nan 0.000 0.480 47 R N -0.091 120.403 120.500 -0.009 0.000 2.236 47 R HA 0.033 4.373 4.340 -0.001 0.000 0.208 47 R C 1.768 178.048 176.300 -0.035 0.000 1.036 47 R CA 0.961 57.002 56.100 -0.099 0.000 1.001 47 R CB -0.550 29.742 30.300 -0.014 0.000 0.896 47 R HN 0.198 nan 8.270 nan 0.000 0.464 48 R N 0.751 121.259 120.500 0.013 0.000 2.297 48 R HA 0.240 4.580 4.340 -0.001 0.000 0.197 48 R C 0.242 176.561 176.300 0.030 0.000 0.943 48 R CA -0.149 55.972 56.100 0.036 0.000 1.038 48 R CB 0.032 30.362 30.300 0.050 0.000 0.957 48 R HN 0.166 nan 8.270 nan 0.000 0.484 49 L N 1.770 122.994 121.223 0.003 0.000 2.482 49 L HA -0.013 4.326 4.340 -0.001 0.000 0.273 49 L C 0.563 177.443 176.870 0.017 0.000 1.228 49 L CA -0.111 54.734 54.840 0.010 0.000 0.827 49 L CB 0.111 42.161 42.059 -0.015 0.000 1.099 49 L HN 0.106 nan 8.230 nan 0.000 0.494 50 N N 1.506 120.221 118.700 0.025 0.000 2.479 50 N HA -0.013 4.726 4.740 -0.001 0.000 0.257 50 N C 0.693 176.217 175.510 0.024 0.000 1.232 50 N CA 0.144 53.214 53.050 0.033 0.000 0.920 50 N CB 0.422 38.924 38.487 0.024 0.000 1.105 50 N HN 0.539 nan 8.380 nan 0.000 0.444 51 N N 0.235 118.959 118.700 0.039 0.000 2.137 51 N HA -0.209 4.531 4.740 -0.001 0.000 0.190 51 N C 1.643 177.138 175.510 -0.025 0.000 1.017 51 N CA 1.486 54.533 53.050 -0.004 0.000 0.859 51 N CB 0.017 38.489 38.487 -0.025 0.000 1.002 51 N HN 0.575 nan 8.380 nan 0.000 0.428 52 S N 0.964 116.659 115.700 -0.008 0.000 2.382 52 S HA -0.131 4.338 4.470 -0.001 0.000 0.228 52 S C 1.856 176.457 174.600 0.002 0.000 1.027 52 S CA 0.995 59.191 58.200 -0.007 0.000 0.991 52 S CB -0.136 63.064 63.200 -0.000 0.000 0.823 52 S HN 0.125 nan 8.310 nan 0.000 0.469 53 K N 1.697 122.102 120.400 0.009 0.000 2.025 53 K HA 0.103 4.422 4.320 -0.001 0.000 0.207 53 K C 2.399 179.014 176.600 0.025 0.000 1.049 53 K CA 1.359 57.659 56.287 0.021 0.000 0.933 53 K CB -0.501 32.017 32.500 0.030 0.000 0.714 53 K HN 0.392 nan 8.250 nan 0.000 0.438 54 R N -0.526 119.973 120.500 -0.001 0.000 2.115 54 R HA 0.015 4.354 4.340 -0.001 0.000 0.230 54 R C 2.040 178.347 176.300 0.012 0.000 1.111 54 R CA 1.156 57.249 56.100 -0.011 0.000 0.976 54 R CB -0.279 29.944 30.300 -0.128 0.000 0.870 54 R HN 0.310 nan 8.270 nan 0.000 0.445 55 A N -0.448 122.370 122.820 -0.003 0.000 1.898 55 A HA -0.165 4.154 4.320 -0.001 0.000 0.216 55 A C 2.081 179.674 177.584 0.016 0.000 1.181 55 A CA 1.815 53.854 52.037 0.003 0.000 0.620 55 A CB -0.743 18.247 19.000 -0.016 0.000 0.819 55 A HN 0.385 nan 8.150 nan 0.000 0.442 56 S N -0.585 115.125 115.700 0.017 0.000 2.370 56 S HA -0.172 4.298 4.470 -0.001 0.000 0.226 56 S C 1.961 176.577 174.600 0.026 0.000 1.033 56 S CA 1.610 59.822 58.200 0.019 0.000 1.011 56 S CB -0.509 62.703 63.200 0.019 0.000 0.852 56 S HN 0.554 nan 8.310 nan 0.000 0.457 57 L N 1.626 122.875 121.223 0.044 0.000 2.042 57 L HA 0.003 4.342 4.340 -0.001 0.000 0.210 57 L C 2.088 178.980 176.870 0.037 0.000 1.076 57 L CA 1.779 56.651 54.840 0.054 0.000 0.749 57 L CB -0.686 41.439 42.059 0.110 0.000 0.893 57 L HN 0.409 nan 8.230 nan 0.000 0.432 58 L N -0.899 120.351 121.223 0.044 0.000 2.093 58 L HA -0.157 4.182 4.340 -0.001 0.000 0.208 58 L C 2.767 179.649 176.870 0.020 0.000 1.085 58 L CA 1.165 56.028 54.840 0.037 0.000 0.755 58 L CB -0.536 41.560 42.059 0.061 0.000 0.904 58 L HN 0.251 nan 8.230 nan 0.000 0.435 59 R N -0.781 119.729 120.500 0.017 0.000 2.115 59 R HA -0.070 4.270 4.340 -0.001 0.000 0.226 59 R C 2.224 178.524 176.300 0.000 0.000 1.100 59 R CA 1.607 57.712 56.100 0.007 0.000 0.980 59 R CB -0.561 29.742 30.300 0.007 0.000 0.875 59 R HN 0.324 nan 8.270 nan 0.000 0.445 60 T N 1.571 116.125 114.554 0.000 0.000 2.821 60 T HA -0.030 4.320 4.350 -0.001 0.000 0.267 60 T C 1.950 176.637 174.700 -0.021 0.000 1.046 60 T CA 0.917 63.013 62.100 -0.007 0.000 1.139 60 T CB -0.072 68.794 68.868 -0.003 0.000 0.871 60 T HN 0.129 nan 8.240 nan 0.000 0.454 61 I N 1.385 121.937 120.570 -0.029 0.000 2.179 61 I HA -0.182 3.988 4.170 -0.001 0.000 0.242 61 I C 2.934 179.023 176.117 -0.046 0.000 1.088 61 I CA 1.063 62.328 61.300 -0.058 0.000 1.357 61 I CB -0.489 37.462 38.000 -0.082 0.000 1.051 61 I HN 0.190 nan 8.210 nan 0.000 0.409 62 A N -0.045 122.759 122.820 -0.027 0.000 1.892 62 A HA -0.248 4.071 4.320 -0.001 0.000 0.218 62 A C 2.489 180.063 177.584 -0.018 0.000 1.188 62 A CA 2.430 54.456 52.037 -0.019 0.000 0.631 62 A CB -0.864 18.131 19.000 -0.008 0.000 0.822 62 A HN 0.378 nan 8.150 nan 0.000 0.447 63 S N -0.639 115.052 115.700 -0.015 0.000 2.368 63 S HA -0.128 4.341 4.470 -0.001 0.000 0.225 63 S C 1.983 176.573 174.600 -0.016 0.000 1.030 63 S CA 1.331 59.523 58.200 -0.012 0.000 0.999 63 S CB -0.297 62.898 63.200 -0.009 0.000 0.844 63 S HN 0.579 nan 8.310 nan 0.000 0.459 64 E N 1.199 121.385 120.200 -0.023 0.000 2.110 64 E HA -0.055 4.295 4.350 -0.001 0.000 0.193 64 E C 2.093 178.677 176.600 -0.026 0.000 0.988 64 E CA 0.599 56.983 56.400 -0.026 0.000 0.804 64 E CB -0.443 29.234 29.700 -0.038 0.000 0.745 64 E HN 0.464 nan 8.360 nan 0.000 0.458 65 L N 0.774 121.979 121.223 -0.031 0.000 2.017 65 L HA -0.197 4.143 4.340 -0.001 0.000 0.208 65 L C 2.330 179.191 176.870 -0.014 0.000 1.073 65 L CA 1.339 56.163 54.840 -0.027 0.000 0.745 65 L CB -0.375 41.666 42.059 -0.030 0.000 0.894 65 L HN 0.125 nan 8.230 nan 0.000 0.432 66 E N 0.009 120.202 120.200 -0.012 0.000 2.153 66 E HA -0.201 4.149 4.350 -0.001 0.000 0.194 66 E C 2.203 178.800 176.600 -0.005 0.000 0.988 66 E CA 1.033 57.429 56.400 -0.006 0.000 0.811 66 E CB -0.151 29.546 29.700 -0.005 0.000 0.746 66 E HN 0.500 nan 8.360 nan 0.000 0.466 67 A N 1.187 124.003 122.820 -0.007 0.000 2.015 67 A HA -0.087 4.232 4.320 -0.001 0.000 0.219 67 A C 1.794 179.377 177.584 -0.003 0.000 1.163 67 A CA 0.859 52.893 52.037 -0.005 0.000 0.646 67 A CB 0.038 19.034 19.000 -0.006 0.000 0.806 67 A HN -0.021 nan 8.150 nan 0.000 0.448 68 R N -0.157 120.342 120.500 -0.003 0.000 2.466 68 R HA 0.253 4.592 4.340 -0.001 0.000 0.279 68 R C 1.424 177.727 176.300 0.004 0.000 0.976 68 R CA 0.460 56.561 56.100 0.002 0.000 1.081 68 R CB -0.605 29.697 30.300 0.002 0.000 1.215 68 R HN 0.459 nan 8.270 nan 0.000 0.546 69 S N 1.712 117.413 115.700 0.002 0.000 2.378 69 S HA -0.211 4.258 4.470 -0.001 0.000 0.229 69 S C 1.151 175.754 174.600 0.006 0.000 1.052 69 S CA 1.954 60.156 58.200 0.003 0.000 1.084 69 S CB -0.062 63.139 63.200 0.001 0.000 0.950 69 S HN 0.350 nan 8.310 nan 0.000 0.440 70 D N 1.199 121.602 120.400 0.005 0.000 2.106 70 D HA -0.112 4.527 4.640 -0.001 0.000 0.191 70 D C 1.736 178.046 176.300 0.017 0.000 0.997 70 D CA 1.276 55.281 54.000 0.007 0.000 0.834 70 D CB -0.672 40.131 40.800 0.005 0.000 0.956 70 D HN 0.355 nan 8.370 nan 0.000 0.448 71 D N 0.450 120.862 120.400 0.020 0.000 2.104 71 D HA -0.109 4.530 4.640 -0.001 0.000 0.194 71 D C 2.402 178.725 176.300 0.039 0.000 0.994 71 D CA 0.452 54.470 54.000 0.031 0.000 0.830 71 D CB -0.358 40.460 40.800 0.030 0.000 0.959 71 D HN 0.293 nan 8.370 nan 0.000 0.452 72 I N 0.855 121.442 120.570 0.029 0.000 2.127 72 I HA -0.258 3.911 4.170 -0.001 0.000 0.241 72 I C 2.565 178.702 176.117 0.034 0.000 1.075 72 I CA 0.915 62.232 61.300 0.028 0.000 1.334 72 I CB -0.276 37.732 38.000 0.014 0.000 1.040 72 I HN -0.051 nan 8.210 nan 0.000 0.405 73 I N 0.831 121.418 120.570 0.029 0.000 2.127 73 I HA -0.327 3.842 4.170 -0.001 0.000 0.241 73 I C 2.860 179.022 176.117 0.075 0.000 1.075 73 I CA 1.531 62.852 61.300 0.035 0.000 1.334 73 I CB -0.533 37.473 38.000 0.009 0.000 1.040 73 I HN 0.223 nan 8.210 nan 0.000 0.405 74 A N 0.695 123.554 122.820 0.065 0.000 1.883 74 A HA -0.291 4.029 4.320 -0.001 0.000 0.217 74 A C 2.340 180.007 177.584 0.139 0.000 1.186 74 A CA 2.274 54.370 52.037 0.097 0.000 0.624 74 A CB -0.606 18.433 19.000 0.065 0.000 0.822 74 A HN 0.309 nan 8.150 nan 0.000 0.444 75 R N -0.095 120.468 120.500 0.104 0.000 2.066 75 R HA 0.028 4.367 4.340 -0.001 0.000 0.232 75 R C 2.205 178.566 176.300 0.101 0.000 1.131 75 R CA 1.930 58.094 56.100 0.106 0.000 0.955 75 R CB -0.898 29.460 30.300 0.096 0.000 0.851 75 R HN 0.388 nan 8.270 nan 0.000 0.432 76 A N -0.564 122.304 122.820 0.079 0.000 1.972 76 A HA -0.207 4.112 4.320 -0.001 0.000 0.219 76 A C 2.068 179.692 177.584 0.067 0.000 1.169 76 A CA 1.896 53.957 52.037 0.040 0.000 0.635 76 A CB -0.928 18.068 19.000 -0.007 0.000 0.810 76 A HN 0.657 nan 8.150 nan 0.000 0.446 77 H N -0.041 119.052 119.070 0.039 0.000 2.353 77 H HA -0.003 4.552 4.556 -0.001 0.000 0.300 77 H C 1.638 177.062 175.328 0.159 0.000 1.090 77 H CA 2.019 58.120 56.048 0.088 0.000 1.327 77 H CB -0.237 29.590 29.762 0.108 0.000 1.383 77 H HN 0.377 nan 8.280 nan 0.000 0.508 78 L N -0.181 121.083 121.223 0.068 0.000 2.179 78 L HA -0.037 4.303 4.340 -0.001 0.000 0.208 78 L C 2.180 179.042 176.870 -0.014 0.000 1.096 78 L CA 1.149 56.026 54.840 0.063 0.000 0.779 78 L CB -0.218 41.921 42.059 0.134 0.000 0.922 78 L HN 0.393 nan 8.230 nan 0.000 0.443 79 E N -0.615 119.584 120.200 -0.002 0.000 2.216 79 E HA -0.118 4.231 4.350 -0.001 0.000 0.192 79 E C 1.819 178.375 176.600 -0.074 0.000 0.988 79 E CA 1.595 57.994 56.400 -0.003 0.000 0.834 79 E CB 0.163 29.898 29.700 0.058 0.000 0.772 79 E HN 0.519 nan 8.360 nan 0.000 0.479 80 T N -3.710 110.763 114.554 -0.136 0.000 2.975 80 T HA 0.501 4.851 4.350 -0.001 0.000 0.257 80 T C 1.273 175.785 174.700 -0.313 0.000 1.003 80 T CA 0.376 62.368 62.100 -0.180 0.000 0.932 80 T CB 0.879 69.663 68.868 -0.140 0.000 1.087 80 T HN 0.128 nan 8.240 nan 0.000 0.512 81 A N 0.779 123.302 122.820 -0.495 0.000 3.396 81 A HA -0.121 4.198 4.320 -0.001 0.000 0.267 81 A C 0.347 177.804 177.584 -0.211 0.000 1.139 81 A CA 0.964 52.534 52.037 -0.779 0.000 1.115 81 A CB -2.650 15.738 19.000 -1.021 0.000 1.133 81 A HN 0.636 nan 8.150 nan 0.000 0.920 82 L N 1.577 122.744 121.223 -0.093 0.000 2.453 82 L HA 0.282 4.622 4.340 -0.001 0.000 0.272 82 L C -1.379 175.623 176.870 0.221 0.000 1.182 82 L CA -1.565 53.282 54.840 0.012 0.000 0.858 82 L CB 0.287 42.306 42.059 -0.066 0.000 1.120 82 L HN 0.229 nan 8.230 nan 0.000 0.474 83 P HA -0.005 nan 4.420 nan 0.000 0.269 83 P C -0.006 177.340 177.300 0.076 0.000 1.209 83 P CA -0.092 63.117 63.100 0.182 0.000 0.776 83 P CB 0.761 32.517 31.700 0.093 0.000 0.876 84 E N 0.885 121.042 120.200 -0.070 0.000 2.118 84 E HA -0.147 4.202 4.350 -0.001 0.000 0.195 84 E C 1.748 178.325 176.600 -0.039 0.000 0.992 84 E CA 0.905 57.244 56.400 -0.101 0.000 0.804 84 E CB -0.348 29.229 29.700 -0.206 0.000 0.741 84 E HN 0.208 nan 8.360 nan 0.000 0.458 85 V N 1.539 121.437 119.914 -0.027 0.000 2.343 85 V HA -0.284 3.835 4.120 -0.001 0.000 0.247 85 V C 2.456 178.556 176.094 0.010 0.000 1.051 85 V CA 2.258 64.554 62.300 -0.008 0.000 1.036 85 V CB -0.216 31.605 31.823 -0.003 0.000 0.654 85 V HN 0.154 nan 8.190 nan 0.000 0.451 86 R N 0.275 120.784 120.500 0.015 0.000 2.066 86 R HA -0.050 4.289 4.340 -0.001 0.000 0.232 86 R C 2.002 178.304 176.300 0.004 0.000 1.131 86 R CA 2.179 58.290 56.100 0.019 0.000 0.955 86 R CB -1.080 29.224 30.300 0.007 0.000 0.851 86 R HN 0.521 nan 8.270 nan 0.000 0.432 87 L N 0.102 121.323 121.223 -0.003 0.000 2.083 87 L HA -0.106 4.233 4.340 -0.001 0.000 0.209 87 L C 2.186 179.060 176.870 0.005 0.000 1.083 87 L CA 1.830 56.666 54.840 -0.007 0.000 0.752 87 L CB -0.655 41.407 42.059 0.005 0.000 0.899 87 L HN 0.288 nan 8.230 nan 0.000 0.433 88 T N -0.412 114.146 114.554 0.005 0.000 2.788 88 T HA -0.126 4.224 4.350 -0.001 0.000 0.268 88 T C 1.805 176.517 174.700 0.021 0.000 1.044 88 T CA 1.390 63.494 62.100 0.008 0.000 1.139 88 T CB -0.421 68.448 68.868 0.001 0.000 0.867 88 T HN 0.570 nan 8.240 nan 0.000 0.454 89 G N 0.489 109.308 108.800 0.032 0.000 2.421 89 G HA2 -0.118 3.841 3.960 -0.001 0.000 0.217 89 G HA3 -0.118 3.841 3.960 -0.001 0.000 0.217 89 G C 1.376 176.317 174.900 0.067 0.000 1.143 89 G CA 0.443 45.573 45.100 0.051 0.000 0.784 89 G HN 0.501 nan 8.290 nan 0.000 0.541 90 E N -0.102 120.137 120.200 0.066 0.000 2.152 90 E HA -0.048 4.301 4.350 -0.001 0.000 0.192 90 E C 2.392 179.031 176.600 0.066 0.000 0.983 90 E CA 0.195 56.652 56.400 0.094 0.000 0.818 90 E CB -0.010 29.737 29.700 0.078 0.000 0.758 90 E HN 0.279 nan 8.360 nan 0.000 0.467 91 I N 1.106 121.698 120.570 0.037 0.000 2.179 91 I HA -0.241 3.928 4.170 -0.001 0.000 0.242 91 I C 2.516 178.646 176.117 0.022 0.000 1.088 91 I CA 1.267 62.580 61.300 0.022 0.000 1.357 91 I CB -1.349 36.658 38.000 0.012 0.000 1.051 91 I HN 0.118 nan 8.210 nan 0.000 0.409 92 A N 0.737 123.573 122.820 0.025 0.000 1.902 92 A HA -0.247 4.073 4.320 -0.001 0.000 0.217 92 A C 2.541 180.138 177.584 0.022 0.000 1.181 92 A CA 1.792 53.842 52.037 0.021 0.000 0.623 92 A CB -0.709 18.305 19.000 0.024 0.000 0.818 92 A HN 0.360 nan 8.150 nan 0.000 0.443 93 R N -0.763 119.760 120.500 0.039 0.000 2.080 93 R HA -0.148 4.192 4.340 -0.001 0.000 0.236 93 R C 2.174 178.482 176.300 0.014 0.000 1.137 93 R CA 2.233 58.355 56.100 0.036 0.000 0.943 93 R CB -0.779 29.569 30.300 0.080 0.000 0.846 93 R HN 0.480 nan 8.270 nan 0.000 0.431 94 T N 0.698 115.266 114.554 0.023 0.000 2.684 94 T HA -0.160 4.189 4.350 -0.001 0.000 0.267 94 T C 1.826 176.526 174.700 0.000 0.000 1.036 94 T CA 1.580 63.684 62.100 0.007 0.000 1.148 94 T CB -0.355 68.521 68.868 0.013 0.000 0.863 94 T HN 0.507 nan 8.240 nan 0.000 0.436 95 A N 2.276 125.097 122.820 0.001 0.000 1.898 95 A HA -0.119 4.201 4.320 -0.001 0.000 0.216 95 A C 2.251 179.831 177.584 -0.006 0.000 1.181 95 A CA 1.367 53.402 52.037 -0.003 0.000 0.620 95 A CB -0.554 18.444 19.000 -0.003 0.000 0.819 95 A HN 0.388 nan 8.150 nan 0.000 0.442 96 N N -0.490 118.202 118.700 -0.012 0.000 2.309 96 N HA -0.156 4.584 4.740 -0.001 0.000 0.182 96 N C 1.843 177.320 175.510 -0.055 0.000 1.018 96 N CA 1.409 54.442 53.050 -0.029 0.000 0.876 96 N CB -0.337 38.135 38.487 -0.026 0.000 0.972 96 N HN 0.798 nan 8.380 nan 0.000 0.434 97 Q N 0.693 120.468 119.800 -0.043 0.000 2.079 97 Q HA -0.002 4.338 4.340 -0.001 0.000 0.200 97 Q C 2.034 178.057 176.000 0.038 0.000 0.974 97 Q CA 0.848 56.620 55.803 -0.052 0.000 0.840 97 Q CB -0.015 28.715 28.738 -0.013 0.000 0.898 97 Q HN 0.272 nan 8.270 nan 0.000 0.430 98 L N 0.078 121.343 121.223 0.069 0.000 2.046 98 L HA -0.178 4.161 4.340 -0.001 0.000 0.208 98 L C 2.637 179.552 176.870 0.074 0.000 1.077 98 L CA 1.427 56.335 54.840 0.113 0.000 0.747 98 L CB -0.234 41.853 42.059 0.046 0.000 0.896 98 L HN 0.168 nan 8.230 nan 0.000 0.432 99 R N -0.665 119.839 120.500 0.007 0.000 2.115 99 R HA -0.173 4.167 4.340 -0.001 0.000 0.230 99 R C 2.146 178.409 176.300 -0.061 0.000 1.111 99 R CA 1.074 57.165 56.100 -0.015 0.000 0.976 99 R CB -0.425 29.862 30.300 -0.022 0.000 0.870 99 R HN 0.188 nan 8.270 nan 0.000 0.445 100 L N -0.014 121.117 121.223 -0.153 0.000 2.017 100 L HA -0.113 4.226 4.340 -0.001 0.000 0.208 100 L C 1.605 178.264 176.870 -0.352 0.000 1.073 100 L CA 1.794 56.443 54.840 -0.319 0.000 0.745 100 L CB -0.418 41.314 42.059 -0.545 0.000 0.894 100 L HN -0.008 nan 8.230 nan 0.000 0.432 101 F N -0.095 119.805 119.950 -0.084 0.000 2.407 101 F HA 0.024 4.551 4.527 -0.001 0.000 0.299 101 F C 2.443 178.209 175.800 -0.056 0.000 1.097 101 F CA 0.838 58.798 58.000 -0.067 0.000 1.422 101 F CB -1.150 37.822 39.000 -0.046 0.000 1.067 101 F HN 0.208 nan 8.300 nan 0.000 0.539 102 A N -0.010 122.862 122.820 0.087 0.000 1.898 102 A HA -0.159 4.161 4.320 -0.001 0.000 0.216 102 A C 2.031 179.614 177.584 -0.002 0.000 1.181 102 A CA 1.901 53.961 52.037 0.038 0.000 0.620 102 A CB -0.669 18.345 19.000 0.024 0.000 0.819 102 A HN 0.228 nan 8.150 nan 0.000 0.442 103 D N -0.136 120.256 120.400 -0.014 0.000 2.117 103 D HA -0.098 4.541 4.640 -0.001 0.000 0.198 103 D C 2.113 178.404 176.300 -0.015 0.000 0.982 103 D CA 1.407 55.402 54.000 -0.008 0.000 0.828 103 D CB -0.546 40.265 40.800 0.018 0.000 0.967 103 D HN 0.210 nan 8.370 nan 0.000 0.464 104 V N 1.024 120.931 119.914 -0.012 0.000 2.255 104 V HA -0.231 3.888 4.120 -0.001 0.000 0.247 104 V C 2.721 178.715 176.094 -0.167 0.000 1.051 104 V CA 1.198 63.490 62.300 -0.013 0.000 1.018 104 V CB -0.542 31.310 31.823 0.047 0.000 0.641 104 V HN 0.048 nan 8.190 nan 0.000 0.445 105 V N 0.332 120.134 119.914 -0.186 0.000 2.255 105 V HA -0.301 3.818 4.120 -0.001 0.000 0.247 105 V C 2.287 178.166 176.094 -0.359 0.000 1.051 105 V CA 2.559 64.606 62.300 -0.422 0.000 1.018 105 V CB -1.058 30.656 31.823 -0.182 0.000 0.641 105 V HN 0.607 nan 8.190 nan 0.000 0.445 106 N N -0.070 118.531 118.700 -0.166 0.000 2.205 106 N HA -0.188 4.551 4.740 -0.001 0.000 0.186 106 N C 2.030 177.480 175.510 -0.100 0.000 1.015 106 N CA 1.524 54.512 53.050 -0.103 0.000 0.862 106 N CB -0.264 38.192 38.487 -0.051 0.000 0.986 106 N HN 0.394 nan 8.380 nan 0.000 0.429 107 S N -1.229 114.404 115.700 -0.112 0.000 2.382 107 S HA -0.031 4.438 4.470 -0.001 0.000 0.228 107 S C 1.456 176.016 174.600 -0.066 0.000 1.027 107 S CA 1.660 59.818 58.200 -0.070 0.000 0.991 107 S CB -0.693 62.482 63.200 -0.042 0.000 0.823 107 S HN 0.658 nan 8.310 nan 0.000 0.469 108 G N -0.043 108.647 108.800 -0.184 0.000 2.179 108 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.260 108 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.260 108 G C 1.089 176.067 174.900 0.130 0.000 0.977 108 G CA 1.254 46.341 45.100 -0.022 0.000 0.641 108 G HN 1.170 nan 8.290 nan 0.000 0.533 109 S N 0.126 115.851 115.700 0.041 0.000 2.402 109 S HA -0.126 4.343 4.470 -0.001 0.000 0.229 109 S C 2.177 176.956 174.600 0.298 0.000 1.021 109 S CA 1.850 60.143 58.200 0.155 0.000 0.974 109 S CB -0.563 62.708 63.200 0.118 0.000 0.800 109 S HN 1.467 nan 8.310 nan 0.000 0.484 110 Y N 1.929 122.269 120.300 0.066 0.000 2.465 110 Y HA -0.021 4.529 4.550 -0.000 0.000 0.289 110 Y C 1.899 177.842 175.900 0.072 0.000 1.150 110 Y CA 0.741 58.880 58.100 0.065 0.000 1.293 110 Y CB -1.850 36.548 38.460 -0.103 0.000 0.977 110 Y HN 0.354 nan 8.280 nan 0.000 0.556 111 H N 0.972 120.446 119.070 0.673 0.000 2.423 111 H HA -0.078 4.477 4.556 -0.001 0.000 0.297 111 H C 0.677 176.114 175.328 0.181 0.000 1.075 111 H CA 1.496 57.717 56.048 0.290 0.000 1.342 111 H CB -0.136 29.791 29.762 0.275 0.000 1.395 111 H HN 0.471 nan 8.280 nan 0.000 0.530 112 Q N -0.752 119.236 119.800 0.313 0.000 2.453 112 Q HA -0.152 4.188 4.340 -0.001 0.000 0.294 112 Q C -0.076 176.017 176.000 0.154 0.000 1.295 112 Q CA 0.087 56.005 55.803 0.191 0.000 0.853 112 Q CB -1.393 27.426 28.738 0.135 0.000 1.193 112 Q HN 0.450 nan 8.270 nan 0.000 0.461 113 A N 0.845 123.763 122.820 0.164 0.000 2.548 113 A HA 0.388 4.708 4.320 -0.001 0.000 0.247 113 A C 0.284 177.912 177.584 0.074 0.000 1.067 113 A CA 0.507 52.605 52.037 0.101 0.000 0.757 113 A CB 0.211 19.247 19.000 0.060 0.000 0.996 113 A HN 0.421 nan 8.150 nan 0.000 0.504 114 I N 3.020 123.630 120.570 0.066 0.000 2.619 114 I HA 0.456 4.625 4.170 -0.001 0.000 0.292 114 I C -0.674 175.472 176.117 0.048 0.000 1.100 114 I CA -0.479 60.853 61.300 0.053 0.000 1.043 114 I CB 1.914 39.946 38.000 0.054 0.000 1.239 114 I HN 0.631 nan 8.210 nan 0.000 0.420 115 L N 2.478 123.722 121.223 0.036 0.000 2.422 115 L HA 0.703 5.042 4.340 -0.001 0.000 0.264 115 L C -1.456 175.431 176.870 0.028 0.000 0.984 115 L CA -0.948 53.912 54.840 0.033 0.000 0.819 115 L CB 2.302 44.374 42.059 0.023 0.000 1.330 115 L HN 0.338 nan 8.230 nan 0.000 0.410 116 D N 1.156 121.573 120.400 0.029 0.000 2.198 116 D HA 0.272 4.911 4.640 -0.001 0.000 0.245 116 D C -0.292 176.020 176.300 0.020 0.000 1.079 116 D CA -0.141 53.873 54.000 0.023 0.000 0.854 116 D CB 2.359 43.174 40.800 0.024 0.000 1.148 116 D HN 0.501 nan 8.370 nan 0.000 0.456 117 T N 4.504 119.067 114.554 0.015 0.000 2.779 117 T HA 0.216 4.566 4.350 -0.001 0.000 0.296 117 T C -1.910 172.797 174.700 0.013 0.000 0.938 117 T CA -0.988 61.119 62.100 0.012 0.000 1.119 117 T CB 0.864 69.738 68.868 0.010 0.000 0.891 117 T HN 0.231 nan 8.240 nan 0.000 0.526 118 P HA 0.138 nan 4.420 nan 0.000 0.271 118 P C -0.450 176.856 177.300 0.010 0.000 1.233 118 P CA -0.397 62.710 63.100 0.013 0.000 0.789 118 P CB 0.562 32.270 31.700 0.013 0.000 0.951 119 N N 1.043 119.749 118.700 0.009 0.000 2.685 119 N HA 0.255 4.995 4.740 -0.001 0.000 0.252 119 N C -2.297 173.218 175.510 0.007 0.000 1.261 119 N CA -2.049 51.005 53.050 0.008 0.000 0.768 119 N CB 0.568 39.060 38.487 0.007 0.000 1.304 119 N HN -0.021 nan 8.380 nan 0.000 0.536 120 P HA -0.078 nan 4.420 nan 0.000 0.216 120 P C 0.815 178.119 177.300 0.006 0.000 1.150 120 P CA 1.427 64.531 63.100 0.007 0.000 0.837 120 P CB 0.167 31.870 31.700 0.006 0.000 0.786 121 T N -3.031 111.526 114.554 0.005 0.000 3.235 121 T HA 0.114 4.463 4.350 -0.001 0.000 0.251 121 T C 0.577 175.279 174.700 0.004 0.000 1.060 121 T CA -0.639 61.464 62.100 0.004 0.000 0.949 121 T CB -0.767 68.103 68.868 0.004 0.000 1.020 121 T HN 0.152 nan 8.240 nan 0.000 0.564 122 R N 0.585 121.087 120.500 0.005 0.000 2.459 122 R HA 0.752 5.091 4.340 -0.001 0.000 0.281 122 R C -0.555 175.747 176.300 0.004 0.000 1.050 122 R CA -0.716 55.386 56.100 0.004 0.000 1.055 122 R CB 0.827 31.130 30.300 0.005 0.000 1.045 122 R HN 0.124 nan 8.270 nan 0.000 0.495 123 A N 3.203 126.025 122.820 0.004 0.000 2.337 123 A HA 0.479 4.798 4.320 -0.001 0.000 0.331 123 A C -1.557 176.029 177.584 0.003 0.000 1.137 123 A CA -1.649 50.391 52.037 0.003 0.000 0.807 123 A CB 1.026 20.028 19.000 0.003 0.000 1.250 123 A HN 0.897 nan 8.150 nan 0.000 0.468 124 P HA 0.112 nan 4.420 nan 0.000 0.222 124 P C -0.160 177.142 177.300 0.004 0.000 1.153 124 P CA 0.824 63.926 63.100 0.003 0.000 0.798 124 P CB 0.143 31.845 31.700 0.003 0.000 0.796 125 L N 1.844 123.069 121.223 0.004 0.000 2.346 125 L HA 0.465 4.805 4.340 -0.001 0.000 0.276 125 L C -2.442 174.431 176.870 0.005 0.000 1.006 125 L CA -2.684 52.158 54.840 0.005 0.000 0.817 125 L CB 2.275 44.337 42.059 0.005 0.000 1.272 125 L HN -0.184 nan 8.230 nan 0.000 0.421 126 P HA 0.029 nan 4.420 nan 0.000 0.272 126 P C -1.262 176.043 177.300 0.008 0.000 1.223 126 P CA -0.452 62.652 63.100 0.007 0.000 0.784 126 P CB 1.019 32.723 31.700 0.007 0.000 0.923 127 K N 3.991 124.396 120.400 0.009 0.000 2.262 127 K HA 0.283 4.602 4.320 -0.001 0.000 0.282 127 K C -1.996 174.612 176.600 0.012 0.000 1.066 127 K CA -2.239 54.054 56.287 0.010 0.000 0.901 127 K CB 0.381 32.887 32.500 0.010 0.000 1.089 127 K HN 0.336 nan 8.250 nan 0.000 0.476 128 P HA -0.003 nan 4.420 nan 0.000 0.274 128 P C -0.902 176.410 177.300 0.021 0.000 1.246 128 P CA -0.252 62.858 63.100 0.017 0.000 0.795 128 P CB 0.659 32.370 31.700 0.018 0.000 1.006 129 D N 1.419 121.834 120.400 0.025 0.000 2.339 129 D HA 0.292 4.931 4.640 -0.001 0.000 0.241 129 D C -0.482 175.843 176.300 0.042 0.000 1.183 129 D CA -0.113 53.904 54.000 0.029 0.000 0.859 129 D CB -0.331 40.485 40.800 0.026 0.000 1.067 129 D HN 0.212 nan 8.370 nan 0.000 0.484 130 I N 3.917 124.514 120.570 0.044 0.000 2.509 130 I HA 0.458 4.627 4.170 -0.001 0.000 0.293 130 I C 0.145 176.306 176.117 0.073 0.000 1.020 130 I CA -0.867 60.470 61.300 0.062 0.000 1.088 130 I CB 1.839 39.867 38.000 0.047 0.000 1.267 130 I HN 0.096 nan 8.210 nan 0.000 0.430 131 R N 5.418 125.988 120.500 0.118 0.000 2.604 131 R HA 0.637 4.977 4.340 -0.001 0.000 0.281 131 R C -1.181 175.253 176.300 0.224 0.000 1.020 131 R CA -0.999 55.174 56.100 0.121 0.000 0.899 131 R CB 2.927 33.268 30.300 0.068 0.000 1.205 131 R HN 0.687 nan 8.270 nan 0.000 0.450 132 R N 1.198 121.802 120.500 0.174 0.000 2.795 132 R HA 0.511 4.851 4.340 -0.001 0.000 0.275 132 R C -1.109 175.301 176.300 0.184 0.000 0.981 132 R CA -1.017 55.215 56.100 0.220 0.000 0.917 132 R CB 2.163 32.541 30.300 0.131 0.000 1.202 132 R HN 0.766 nan 8.270 nan 0.000 0.469 133 Q N 0.631 120.569 119.800 0.231 0.000 2.590 133 Q HA 0.331 4.671 4.340 -0.001 0.000 0.295 133 Q C -1.304 174.803 176.000 0.179 0.000 0.973 133 Q CA -1.242 54.679 55.803 0.196 0.000 0.768 133 Q CB 1.874 30.717 28.738 0.175 0.000 1.479 133 Q HN 0.518 nan 8.270 nan 0.000 0.419 134 Q N 1.244 121.133 119.800 0.148 0.000 2.230 134 Q HA 0.626 4.965 4.340 -0.001 0.000 0.253 134 Q C -0.316 175.691 176.000 0.012 0.000 0.919 134 Q CA -0.422 55.421 55.803 0.066 0.000 0.908 134 Q CB 1.979 30.734 28.738 0.028 0.000 1.245 134 Q HN 0.715 nan 8.270 nan 0.000 0.437 135 I N -2.502 118.072 120.570 0.007 0.000 2.969 135 I HA 0.769 4.939 4.170 -0.001 0.000 0.307 135 I C -0.582 175.529 176.117 -0.011 0.000 1.149 135 I CA -1.466 59.827 61.300 -0.012 0.000 1.008 135 I CB 2.022 40.057 38.000 0.059 0.000 1.232 135 I HN 0.513 nan 8.210 nan 0.000 0.435 136 A N 4.127 126.936 122.820 -0.018 0.000 2.511 136 A HA 0.317 4.637 4.320 -0.001 0.000 0.242 136 A C 0.950 178.578 177.584 0.073 0.000 1.069 136 A CA -0.193 51.864 52.037 0.033 0.000 0.763 136 A CB 0.146 19.162 19.000 0.028 0.000 1.001 136 A HN 0.895 nan 8.150 nan 0.000 0.498 137 L N 2.087 123.380 121.223 0.116 0.000 2.093 137 L HA 0.147 4.486 4.340 -0.001 0.000 0.208 137 L C 1.548 178.474 176.870 0.093 0.000 1.085 137 L CA 1.448 56.359 54.840 0.118 0.000 0.755 137 L CB -0.635 41.530 42.059 0.177 0.000 0.904 137 L HN 1.116 nan 8.230 nan 0.000 0.435 138 G N -1.966 106.888 108.800 0.090 0.000 2.302 138 G HA2 -0.047 3.913 3.960 -0.001 0.000 0.276 138 G HA3 -0.047 3.913 3.960 -0.001 0.000 0.276 138 G C -2.946 171.977 174.900 0.038 0.000 1.316 138 G CA -1.118 44.021 45.100 0.065 0.000 0.988 138 G HN -0.207 nan 8.290 nan 0.000 0.479 139 P HA 0.403 nan 4.420 nan 0.000 0.265 139 P C -0.276 176.988 177.300 -0.059 0.000 1.193 139 P CA -0.033 63.037 63.100 -0.050 0.000 0.765 139 P CB 1.084 32.745 31.700 -0.066 0.000 0.823 140 V N 3.025 122.854 119.914 -0.142 0.000 2.604 140 V HA 0.645 4.764 4.120 -0.001 0.000 0.305 140 V C 0.179 176.156 176.094 -0.195 0.000 1.043 140 V CA -0.853 61.336 62.300 -0.186 0.000 0.888 140 V CB 1.812 33.349 31.823 -0.477 0.000 0.995 140 V HN 0.583 nan 8.190 nan 0.000 0.429 141 A N 4.269 127.032 122.820 -0.096 0.000 2.301 141 A HA 0.828 5.147 4.320 -0.001 0.000 0.312 141 A C -0.722 176.832 177.584 -0.049 0.000 1.182 141 A CA -0.433 51.551 52.037 -0.087 0.000 0.826 141 A CB 1.116 20.142 19.000 0.044 0.000 1.134 141 A HN 0.701 nan 8.150 nan 0.000 0.501 142 V N 2.484 122.304 119.914 -0.156 0.000 2.531 142 V HA 0.470 4.590 4.120 -0.001 0.000 0.301 142 V C -1.340 174.666 176.094 -0.146 0.000 1.034 142 V CA -0.258 62.014 62.300 -0.047 0.000 0.865 142 V CB 1.377 33.156 31.823 -0.074 0.000 0.995 142 V HN 0.726 nan 8.190 nan 0.000 0.424 143 F N 2.717 122.706 119.950 0.065 0.000 2.402 143 F HA 0.702 5.228 4.527 -0.001 0.000 0.355 143 F C 0.978 176.779 175.800 0.001 0.000 1.123 143 F CA -0.498 57.527 58.000 0.041 0.000 1.021 143 F CB 1.689 40.753 39.000 0.106 0.000 1.160 143 F HN 0.583 nan 8.300 nan 0.000 0.451 144 G N 1.295 110.205 108.800 0.185 0.000 2.572 144 G HA2 0.537 4.496 3.960 -0.001 0.000 0.261 144 G HA3 0.537 4.496 3.960 -0.001 0.000 0.261 144 G C -0.689 174.353 174.900 0.236 0.000 1.197 144 G CA -0.582 44.650 45.100 0.221 0.000 0.870 144 G HN 0.843 nan 8.290 nan 0.000 0.548 145 A N -0.057 122.894 122.820 0.219 0.000 2.327 145 A HA 0.517 4.836 4.320 -0.001 0.000 0.283 145 A C 1.545 179.172 177.584 0.072 0.000 1.127 145 A CA 0.341 52.450 52.037 0.120 0.000 0.810 145 A CB 0.860 19.914 19.000 0.090 0.000 1.066 145 A HN 1.346 nan 8.150 nan 0.000 0.492 146 S N 1.492 117.108 115.700 -0.141 0.000 2.414 146 S HA -0.138 4.332 4.470 -0.001 0.000 0.227 146 S C 1.230 175.755 174.600 -0.125 0.000 1.022 146 S CA 1.010 59.014 58.200 -0.326 0.000 0.958 146 S CB -0.409 62.499 63.200 -0.487 0.000 0.797 146 S HN 0.873 nan 8.310 nan 0.000 0.493 147 N N 0.689 119.357 118.700 -0.053 0.000 2.463 147 N HA 0.035 4.774 4.740 -0.001 0.000 0.181 147 N C -0.434 174.921 175.510 -0.259 0.000 1.078 147 N CA 0.292 53.313 53.050 -0.048 0.000 0.902 147 N CB -0.472 38.123 38.487 0.180 0.000 0.970 147 N HN 0.502 nan 8.380 nan 0.000 0.451 148 F N 1.036 120.889 119.950 -0.163 0.000 2.710 148 F HA 0.383 4.910 4.527 -0.001 0.000 0.345 148 F C -1.746 174.006 175.800 -0.079 0.000 1.362 148 F CA -2.036 55.896 58.000 -0.114 0.000 1.175 148 F CB 1.813 40.767 39.000 -0.076 0.000 1.561 148 F HN -0.156 nan 8.300 nan 0.000 0.593 149 P HA -0.153 nan 4.420 nan 0.000 0.224 149 P C 0.894 178.052 177.300 -0.236 0.000 1.142 149 P CA 1.556 64.331 63.100 -0.542 0.000 0.778 149 P CB 0.647 31.874 31.700 -0.788 0.000 0.764 150 L N -1.392 119.814 121.223 -0.028 0.000 2.614 150 L HA 0.299 4.639 4.340 -0.001 0.000 0.185 150 L C 2.603 179.533 176.870 0.100 0.000 1.098 150 L CA 0.798 55.656 54.840 0.029 0.000 0.852 150 L CB -1.171 40.898 42.059 0.017 0.000 1.213 150 L HN -0.275 nan 8.230 nan 0.000 0.491 151 A N -0.561 122.378 122.820 0.199 0.000 2.119 151 A HA -0.005 4.315 4.320 -0.001 0.000 0.217 151 A C 1.118 178.684 177.584 -0.029 0.000 1.153 151 A CA 1.265 53.376 52.037 0.123 0.000 0.692 151 A CB -0.349 18.777 19.000 0.209 0.000 0.799 151 A HN 0.392 nan 8.150 nan 0.000 0.458 152 F N -1.392 118.605 119.950 0.078 0.000 2.835 152 F HA 0.388 4.915 4.527 -0.001 0.000 0.342 152 F C 0.960 176.816 175.800 0.092 0.000 1.202 152 F CA -0.017 58.020 58.000 0.061 0.000 1.240 152 F CB 0.364 39.388 39.000 0.040 0.000 1.005 152 F HN 0.139 nan 8.300 nan 0.000 0.507 153 S N -0.608 115.216 115.700 0.206 0.000 4.353 153 S HA 0.689 5.159 4.470 -0.001 0.000 0.229 153 S C 1.736 176.429 174.600 0.156 0.000 1.098 153 S CA 0.459 58.785 58.200 0.208 0.000 1.695 153 S CB -0.041 63.317 63.200 0.263 0.000 1.097 153 S HN 0.029 nan 8.310 nan 0.000 0.745 154 A N 0.959 123.885 122.820 0.176 0.000 1.915 154 A HA -0.008 4.312 4.320 -0.001 0.000 0.220 154 A C 1.651 179.319 177.584 0.140 0.000 1.198 154 A CA 2.628 54.778 52.037 0.189 0.000 0.647 154 A CB -1.260 17.855 19.000 0.191 0.000 0.825 154 A HN 1.187 nan 8.150 nan 0.000 0.456 155 A N -1.081 121.765 122.820 0.044 0.000 2.637 155 A HA 0.564 4.884 4.320 -0.001 0.000 0.293 155 A C 1.044 178.618 177.584 -0.016 0.000 1.216 155 A CA 0.589 52.609 52.037 -0.028 0.000 0.956 155 A CB -0.736 18.212 19.000 -0.086 0.000 1.174 155 A HN 0.835 nan 8.150 nan 0.000 0.525 156 G N -0.900 107.902 108.800 0.004 0.000 2.525 156 G HA2 0.372 4.331 3.960 -0.001 0.000 0.276 156 G HA3 0.372 4.331 3.960 -0.001 0.000 0.276 156 G C 1.185 176.025 174.900 -0.100 0.000 1.388 156 G CA 0.132 45.200 45.100 -0.054 0.000 1.050 156 G HN 0.526 nan 8.290 nan 0.000 0.520 157 G N -0.726 107.942 108.800 -0.221 0.000 2.442 157 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.219 157 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.219 157 G C 1.316 176.166 174.900 -0.084 0.000 1.141 157 G CA 1.505 46.511 45.100 -0.156 0.000 0.763 157 G HN 0.481 nan 8.290 nan 0.000 0.554 158 D N 0.064 120.456 120.400 -0.014 0.000 2.097 158 D HA -0.039 4.601 4.640 -0.001 0.000 0.197 158 D C 2.776 179.013 176.300 -0.105 0.000 0.984 158 D CA 1.353 55.406 54.000 0.089 0.000 0.826 158 D CB -0.620 40.285 40.800 0.174 0.000 0.973 158 D HN 0.188 nan 8.370 nan 0.000 0.460 159 T N 0.713 115.211 114.554 -0.093 0.000 2.708 159 T HA -0.130 4.220 4.350 -0.001 0.000 0.266 159 T C 1.988 176.597 174.700 -0.153 0.000 1.037 159 T CA 1.653 63.691 62.100 -0.104 0.000 1.146 159 T CB -0.370 68.517 68.868 0.031 0.000 0.865 159 T HN 0.181 nan 8.240 nan 0.000 0.435 160 A N 1.970 124.699 122.820 -0.151 0.000 1.865 160 A HA -0.152 4.168 4.320 -0.001 0.000 0.217 160 A C 2.603 179.900 177.584 -0.478 0.000 1.191 160 A CA 2.503 54.425 52.037 -0.192 0.000 0.623 160 A CB -1.030 17.942 19.000 -0.048 0.000 0.826 160 A HN 0.624 nan 8.150 nan 0.000 0.444 161 S N 0.042 115.277 115.700 -0.775 0.000 2.402 161 S HA 0.097 4.567 4.470 -0.001 0.000 0.229 161 S C 2.076 176.508 174.600 -0.281 0.000 1.021 161 S CA 1.258 58.894 58.200 -0.939 0.000 0.974 161 S CB -0.639 62.139 63.200 -0.703 0.000 0.800 161 S HN 0.888 nan 8.310 nan 0.000 0.484 162 A N 2.254 124.825 122.820 -0.415 0.000 1.873 162 A HA 0.177 4.497 4.320 -0.001 0.000 0.215 162 A C 2.323 179.760 177.584 -0.244 0.000 1.186 162 A CA 1.297 52.892 52.037 -0.737 0.000 0.616 162 A CB -0.862 17.451 19.000 -1.146 0.000 0.823 162 A HN 0.514 nan 8.150 nan 0.000 0.442 163 L N -0.743 120.405 121.223 -0.125 0.000 2.046 163 L HA -0.201 4.138 4.340 -0.001 0.000 0.208 163 L C 3.119 180.021 176.870 0.053 0.000 1.077 163 L CA 1.085 55.998 54.840 0.121 0.000 0.747 163 L CB -0.641 41.502 42.059 0.139 0.000 0.896 163 L HN 0.449 nan 8.230 nan 0.000 0.432 164 A N 0.179 122.982 122.820 -0.030 0.000 1.940 164 A HA -0.200 4.120 4.320 -0.001 0.000 0.219 164 A C 2.495 180.122 177.584 0.073 0.000 1.176 164 A CA 1.802 53.850 52.037 0.018 0.000 0.631 164 A CB -0.671 18.346 19.000 0.029 0.000 0.814 164 A HN 0.420 nan 8.150 nan 0.000 0.446 165 A N -1.933 120.910 122.820 0.038 0.000 2.067 165 A HA 0.334 4.653 4.320 -0.001 0.000 0.219 165 A C 1.887 179.425 177.584 -0.077 0.000 1.158 165 A CA 1.655 53.705 52.037 0.021 0.000 0.661 165 A CB -0.841 18.234 19.000 0.125 0.000 0.801 165 A HN 2.005 nan 8.150 nan 0.000 0.452 166 G N -2.797 105.934 108.800 -0.114 0.000 2.145 166 G HA2 -0.150 3.809 3.960 -0.001 0.000 0.176 166 G HA3 -0.150 3.809 3.960 -0.001 0.000 0.176 166 G C -0.144 174.794 174.900 0.064 0.000 1.013 166 G CA -0.227 44.698 45.100 -0.292 0.000 0.689 166 G HN 0.654 nan 8.290 nan 0.000 0.506 167 C N 0.950 120.362 119.300 0.186 0.000 2.329 167 C HA 0.659 5.119 4.460 -0.001 0.000 0.329 167 C C -1.574 173.525 174.990 0.182 0.000 1.275 167 C CA -1.559 57.559 59.018 0.167 0.000 1.726 167 C CB 1.540 29.259 27.740 -0.035 0.000 2.291 167 C HN 0.342 nan 8.230 nan 0.000 0.514 168 P HA 0.307 nan 4.420 nan 0.000 0.272 168 P C -0.903 176.295 177.300 -0.171 0.000 1.223 168 P CA -0.009 62.994 63.100 -0.163 0.000 0.784 168 P CB 0.540 32.133 31.700 -0.177 0.000 0.923 169 V N 3.836 123.624 119.914 -0.209 0.000 2.604 169 V HA 0.438 4.558 4.120 -0.001 0.000 0.305 169 V C 0.004 175.849 176.094 -0.416 0.000 1.043 169 V CA -0.453 61.691 62.300 -0.259 0.000 0.888 169 V CB 1.756 33.491 31.823 -0.147 0.000 0.995 169 V HN 0.369 nan 8.190 nan 0.000 0.429 170 I N 4.462 124.797 120.570 -0.392 0.000 2.410 170 I HA 0.433 4.602 4.170 -0.001 0.000 0.286 170 I C -0.696 175.168 176.117 -0.422 0.000 1.009 170 I CA -0.738 60.293 61.300 -0.449 0.000 1.111 170 I CB 2.053 39.854 38.000 -0.332 0.000 1.262 170 I HN 0.256 nan 8.210 nan 0.000 0.443 171 V N 6.557 126.179 119.914 -0.488 0.000 2.439 171 V HA 0.282 4.401 4.120 -0.001 0.000 0.282 171 V C 0.396 176.288 176.094 -0.336 0.000 1.039 171 V CA -0.682 61.407 62.300 -0.351 0.000 0.913 171 V CB 1.697 33.397 31.823 -0.204 0.000 0.983 171 V HN 0.500 nan 8.190 nan 0.000 0.460 172 K N 4.353 124.475 120.400 -0.464 0.000 2.206 172 K HA 0.294 4.613 4.320 -0.001 0.000 0.268 172 K C 0.463 176.909 176.600 -0.257 0.000 1.111 172 K CA -0.231 55.794 56.287 -0.437 0.000 0.955 172 K CB 0.595 32.587 32.500 -0.847 0.000 1.406 172 K HN 0.873 nan 8.250 nan 0.000 0.427 173 G N 3.878 112.600 108.800 -0.130 0.000 2.224 173 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.239 173 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.239 173 G C -0.049 174.797 174.900 -0.089 0.000 1.240 173 G CA -0.018 45.039 45.100 -0.072 0.000 0.896 173 G HN 0.686 nan 8.290 nan 0.000 0.496 174 H N 1.686 120.619 119.070 -0.228 0.000 2.848 174 H HA 0.037 4.592 4.556 -0.001 0.000 0.341 174 H C 1.875 177.027 175.328 -0.293 0.000 1.060 174 H CA 0.895 56.777 56.048 -0.276 0.000 1.444 174 H CB 1.057 30.553 29.762 -0.443 0.000 1.446 174 H HN 0.549 nan 8.280 nan 0.000 0.583 175 T N 0.969 115.495 114.554 -0.047 0.000 3.113 175 T HA 0.028 4.378 4.350 -0.001 0.000 0.263 175 T C 1.752 176.558 174.700 0.176 0.000 1.143 175 T CA 0.526 62.669 62.100 0.072 0.000 1.090 175 T CB -0.020 68.804 68.868 -0.074 0.000 0.922 175 T HN 0.510 nan 8.240 nan 0.000 0.521 176 A N 2.138 125.128 122.820 0.283 0.000 2.123 176 A HA 0.089 4.409 4.320 -0.001 0.000 0.214 176 A C 1.348 178.970 177.584 0.064 0.000 1.152 176 A CA 0.592 52.703 52.037 0.124 0.000 0.728 176 A CB -0.443 18.574 19.000 0.029 0.000 0.814 176 A HN 0.911 nan 8.150 nan 0.000 0.464 177 H N -3.226 115.858 119.070 0.023 0.000 2.823 177 H HA 0.217 4.772 4.556 -0.001 0.000 0.222 177 H C -2.563 172.690 175.328 -0.125 0.000 1.414 177 H CA -0.757 55.261 56.048 -0.050 0.000 1.289 177 H CB -0.216 29.508 29.762 -0.063 0.000 1.970 177 H HN 0.220 nan 8.280 nan 0.000 0.517 178 P HA -0.134 nan 4.420 nan 0.000 0.215 178 P C 1.774 178.648 177.300 -0.709 0.000 1.153 178 P CA 1.967 64.658 63.100 -0.682 0.000 0.853 178 P CB -0.149 30.754 31.700 -1.329 0.000 0.788 179 G N -0.466 108.060 108.800 -0.457 0.000 2.422 179 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.218 179 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.218 179 G C 1.556 176.494 174.900 0.064 0.000 1.146 179 G CA 1.430 46.558 45.100 0.047 0.000 0.769 179 G HN 0.209 nan 8.290 nan 0.000 0.547 180 T N 1.276 115.865 114.554 0.059 0.000 2.708 180 T HA -0.102 4.247 4.350 -0.001 0.000 0.266 180 T C 2.860 177.611 174.700 0.085 0.000 1.037 180 T CA 1.542 63.686 62.100 0.073 0.000 1.146 180 T CB -0.322 68.578 68.868 0.052 0.000 0.865 180 T HN 0.261 nan 8.240 nan 0.000 0.435 181 S N 1.170 116.943 115.700 0.121 0.000 2.359 181 S HA -0.192 4.277 4.470 -0.001 0.000 0.224 181 S C 2.149 176.801 174.600 0.088 0.000 1.035 181 S CA 1.239 59.510 58.200 0.118 0.000 1.018 181 S CB -0.424 62.832 63.200 0.094 0.000 0.876 181 S HN 0.508 nan 8.310 nan 0.000 0.448 182 Q N 0.490 120.327 119.800 0.062 0.000 2.096 182 Q HA -0.129 4.210 4.340 -0.001 0.000 0.204 182 Q C 2.103 178.159 176.000 0.094 0.000 0.982 182 Q CA 1.440 57.307 55.803 0.106 0.000 0.850 182 Q CB -0.259 28.586 28.738 0.180 0.000 0.901 182 Q HN 0.549 nan 8.270 nan 0.000 0.422 183 I N -0.195 120.423 120.570 0.081 0.000 2.226 183 I HA -0.267 3.902 4.170 -0.001 0.000 0.245 183 I C 2.249 178.382 176.117 0.026 0.000 1.100 183 I CA 0.744 62.077 61.300 0.055 0.000 1.374 183 I CB -0.237 37.794 38.000 0.051 0.000 1.057 183 I HN 0.088 nan 8.210 nan 0.000 0.413 184 V N 1.116 121.044 119.914 0.024 0.000 2.343 184 V HA -0.299 3.820 4.120 -0.001 0.000 0.247 184 V C 2.719 178.775 176.094 -0.065 0.000 1.051 184 V CA 2.016 64.304 62.300 -0.021 0.000 1.036 184 V CB -0.955 30.866 31.823 -0.005 0.000 0.654 184 V HN 0.507 nan 8.190 nan 0.000 0.451 185 A N -0.607 122.224 122.820 0.018 0.000 1.972 185 A HA -0.236 4.083 4.320 -0.001 0.000 0.219 185 A C 2.163 179.757 177.584 0.016 0.000 1.169 185 A CA 1.803 53.879 52.037 0.064 0.000 0.635 185 A CB -0.425 18.714 19.000 0.233 0.000 0.810 185 A HN 0.622 nan 8.150 nan 0.000 0.446 186 E N -0.961 119.253 120.200 0.022 0.000 2.150 186 E HA -0.149 4.201 4.350 -0.001 0.000 0.193 186 E C 1.988 178.575 176.600 -0.023 0.000 0.985 186 E CA 1.147 57.555 56.400 0.013 0.000 0.814 186 E CB -0.298 29.416 29.700 0.025 0.000 0.752 186 E HN 0.698 nan 8.360 nan 0.000 0.466 187 C N 0.404 119.675 119.300 -0.048 0.000 2.453 187 C HA -0.083 4.376 4.460 -0.001 0.000 0.277 187 C C 2.520 177.445 174.990 -0.109 0.000 1.262 187 C CA 0.329 59.306 59.018 -0.068 0.000 1.718 187 C CB -0.685 27.011 27.740 -0.072 0.000 2.031 187 C HN 0.412 nan 8.230 nan 0.000 0.480 188 I N 0.969 121.421 120.570 -0.196 0.000 2.286 188 I HA -0.206 3.964 4.170 -0.001 0.000 0.248 188 I C 2.664 178.692 176.117 -0.149 0.000 1.115 188 I CA 1.705 62.838 61.300 -0.277 0.000 1.392 188 I CB -0.675 36.915 38.000 -0.683 0.000 1.065 188 I HN 0.499 nan 8.210 nan 0.000 0.418 189 E N 0.836 120.988 120.200 -0.080 0.000 2.077 189 E HA -0.280 4.069 4.350 -0.001 0.000 0.193 189 E C 2.245 178.831 176.600 -0.023 0.000 0.989 189 E CA 1.208 57.597 56.400 -0.018 0.000 0.800 189 E CB 0.034 29.743 29.700 0.015 0.000 0.746 189 E HN 0.375 nan 8.360 nan 0.000 0.452 190 Q N 0.089 119.872 119.800 -0.028 0.000 2.084 190 Q HA -0.121 4.218 4.340 -0.001 0.000 0.202 190 Q C 2.133 178.119 176.000 -0.023 0.000 0.978 190 Q CA 1.464 57.255 55.803 -0.021 0.000 0.844 190 Q CB -0.385 28.341 28.738 -0.019 0.000 0.898 190 Q HN 0.423 nan 8.270 nan 0.000 0.426 191 A N 0.633 123.430 122.820 -0.038 0.000 1.908 191 A HA -0.162 4.157 4.320 -0.001 0.000 0.218 191 A C 2.249 179.823 177.584 -0.017 0.000 1.181 191 A CA 1.226 53.245 52.037 -0.031 0.000 0.627 191 A CB -0.758 18.211 19.000 -0.051 0.000 0.818 191 A HN 0.354 nan 8.150 nan 0.000 0.445 192 L N -0.894 120.315 121.223 -0.024 0.000 2.083 192 L HA -0.191 4.148 4.340 -0.001 0.000 0.209 192 L C 2.585 179.454 176.870 -0.002 0.000 1.083 192 L CA 1.575 56.409 54.840 -0.010 0.000 0.752 192 L CB -0.359 41.688 42.059 -0.019 0.000 0.899 192 L HN 0.362 nan 8.230 nan 0.000 0.433 193 K N -0.381 120.017 120.400 -0.004 0.000 2.025 193 K HA -0.186 4.133 4.320 -0.001 0.000 0.207 193 K C 2.174 178.776 176.600 0.003 0.000 1.049 193 K CA 1.294 57.581 56.287 -0.000 0.000 0.933 193 K CB -0.114 32.385 32.500 -0.001 0.000 0.714 193 K HN 0.364 nan 8.250 nan 0.000 0.438 194 Q N 0.498 120.299 119.800 0.001 0.000 2.084 194 Q HA -0.138 4.201 4.340 -0.001 0.000 0.202 194 Q C 1.655 177.661 176.000 0.010 0.000 0.978 194 Q CA 1.042 56.847 55.803 0.004 0.000 0.844 194 Q CB 0.126 28.865 28.738 0.001 0.000 0.898 194 Q HN 0.238 nan 8.270 nan 0.000 0.426 195 E N 0.532 120.741 120.200 0.014 0.000 2.482 195 E HA -0.078 4.271 4.350 -0.001 0.000 0.196 195 E C -0.224 176.392 176.600 0.028 0.000 1.047 195 E CA 0.246 56.661 56.400 0.025 0.000 0.869 195 E CB 0.150 29.872 29.700 0.037 0.000 0.836 195 E HN 0.347 nan 8.360 nan 0.000 0.520 196 Q N -0.013 119.799 119.800 0.020 0.000 2.459 196 Q HA -0.191 4.148 4.340 -0.001 0.000 0.322 196 Q C -0.658 175.358 176.000 0.027 0.000 1.427 196 Q CA 0.372 56.186 55.803 0.020 0.000 0.861 196 Q CB -1.757 26.993 28.738 0.019 0.000 1.137 196 Q HN 0.236 nan 8.270 nan 0.000 0.394 197 L N -0.408 120.830 121.223 0.025 0.000 2.323 197 L HA 0.636 4.975 4.340 -0.001 0.000 0.265 197 L C -2.081 174.788 176.870 -0.001 0.000 1.012 197 L CA -2.580 52.278 54.840 0.030 0.000 0.820 197 L CB 1.481 43.574 42.059 0.056 0.000 1.334 197 L HN -0.103 nan 8.230 nan 0.000 0.427 198 P HA 0.007 nan 4.420 nan 0.000 0.264 198 P C -0.072 177.190 177.300 -0.062 0.000 1.193 198 P CA -0.187 62.890 63.100 -0.038 0.000 0.763 198 P CB 0.496 32.169 31.700 -0.046 0.000 0.810 199 Q N 2.733 122.507 119.800 -0.043 0.000 2.226 199 Q HA -0.139 4.200 4.340 -0.001 0.000 0.204 199 Q C 1.868 177.833 176.000 -0.058 0.000 0.975 199 Q CA 1.668 57.451 55.803 -0.033 0.000 0.866 199 Q CB -0.771 27.956 28.738 -0.018 0.000 0.915 199 Q HN 0.586 nan 8.270 nan 0.000 0.440 200 A N 0.354 123.120 122.820 -0.089 0.000 2.248 200 A HA -0.075 4.244 4.320 -0.001 0.000 0.210 200 A C 1.965 179.438 177.584 -0.185 0.000 1.174 200 A CA 0.368 52.330 52.037 -0.125 0.000 0.750 200 A CB -0.648 18.284 19.000 -0.112 0.000 0.780 200 A HN 0.307 nan 8.150 nan 0.000 0.478 201 I N -2.323 118.113 120.570 -0.224 0.000 2.394 201 I HA -0.072 4.098 4.170 -0.001 0.000 0.251 201 I C 0.526 176.505 176.117 -0.230 0.000 1.136 201 I CA 0.916 61.971 61.300 -0.407 0.000 1.425 201 I CB 0.049 37.697 38.000 -0.586 0.000 1.079 201 I HN 0.430 nan 8.210 nan 0.000 0.425 202 F N 0.185 119.987 119.950 -0.248 0.000 2.573 202 F HA 0.398 4.925 4.527 -0.001 0.000 0.316 202 F C -0.805 174.908 175.800 -0.144 0.000 1.148 202 F CA -0.427 57.461 58.000 -0.188 0.000 0.940 202 F CB 1.528 40.437 39.000 -0.153 0.000 1.214 202 F HN -0.396 nan 8.300 nan 0.000 0.448 203 T N 7.083 121.126 114.554 -0.852 0.000 2.881 203 T HA 0.516 4.866 4.350 -0.001 0.000 0.290 203 T C -1.552 172.703 174.700 -0.741 0.000 1.000 203 T CA -0.495 61.260 62.100 -0.575 0.000 0.978 203 T CB 1.635 70.284 68.868 -0.366 0.000 0.997 203 T HN 0.600 nan 8.240 nan 0.000 0.443 204 L N 4.392 125.396 121.223 -0.365 0.000 2.296 204 L HA 0.687 5.027 4.340 -0.001 0.000 0.286 204 L C -1.363 175.464 176.870 -0.072 0.000 1.023 204 L CA -0.462 54.262 54.840 -0.194 0.000 0.812 204 L CB 0.483 42.584 42.059 0.069 0.000 1.223 204 L HN 0.606 nan 8.230 nan 0.000 0.421 205 L N 4.779 125.964 121.223 -0.064 0.000 2.334 205 L HA 0.624 4.963 4.340 -0.001 0.000 0.273 205 L C -0.434 176.544 176.870 0.179 0.000 1.013 205 L CA -0.745 54.168 54.840 0.121 0.000 0.816 205 L CB 1.867 43.910 42.059 -0.026 0.000 1.278 205 L HN 0.587 nan 8.230 nan 0.000 0.431 206 Q N 1.326 121.320 119.800 0.323 0.000 2.423 206 Q HA 0.794 5.133 4.340 -0.001 0.000 0.278 206 Q C -0.649 175.368 176.000 0.029 0.000 1.097 206 Q CA -0.836 55.028 55.803 0.101 0.000 0.809 206 Q CB 3.214 32.013 28.738 0.100 0.000 1.391 206 Q HN 0.830 nan 8.270 nan 0.000 0.428 207 G N 1.336 110.108 108.800 -0.047 0.000 2.351 207 G HA2 0.045 4.005 3.960 -0.001 0.000 0.296 207 G HA3 0.045 4.005 3.960 -0.001 0.000 0.296 207 G C -0.608 173.943 174.900 -0.582 0.000 1.685 207 G CA -0.682 44.233 45.100 -0.308 0.000 0.936 207 G HN 0.597 nan 8.290 nan 0.000 0.714 208 N N -0.117 118.096 118.700 -0.812 0.000 2.251 208 N HA 0.064 4.803 4.740 -0.001 0.000 0.217 208 N C 0.152 175.497 175.510 -0.275 0.000 1.124 208 N CA -0.046 52.647 53.050 -0.594 0.000 0.843 208 N CB 0.699 38.763 38.487 -0.704 0.000 1.024 208 N HN 0.629 nan 8.380 nan 0.000 0.501 209 Q N 0.552 120.234 119.800 -0.196 0.000 2.347 209 Q HA 0.343 4.683 4.340 -0.001 0.000 0.262 209 Q C 0.389 176.360 176.000 -0.050 0.000 0.980 209 Q CA -0.817 54.930 55.803 -0.094 0.000 0.867 209 Q CB 1.701 30.402 28.738 -0.062 0.000 1.242 209 Q HN -0.036 nan 8.270 nan 0.000 0.453 210 R N 1.343 121.826 120.500 -0.028 0.000 2.211 210 R HA -0.176 4.164 4.340 -0.001 0.000 0.240 210 R C 1.649 177.968 176.300 0.033 0.000 1.144 210 R CA 1.190 57.297 56.100 0.011 0.000 0.992 210 R CB -0.797 29.509 30.300 0.009 0.000 0.869 210 R HN 0.711 nan 8.270 nan 0.000 0.462 211 A N 1.149 123.980 122.820 0.019 0.000 1.978 211 A HA -0.167 4.153 4.320 -0.001 0.000 0.220 211 A C 2.154 179.767 177.584 0.048 0.000 1.170 211 A CA 1.165 53.220 52.037 0.029 0.000 0.636 211 A CB -0.420 18.590 19.000 0.018 0.000 0.810 211 A HN 0.243 nan 8.150 nan 0.000 0.448 212 L N 0.087 121.338 121.223 0.046 0.000 1.976 212 L HA -0.040 4.299 4.340 -0.001 0.000 0.209 212 L C 2.427 179.359 176.870 0.104 0.000 1.071 212 L CA 2.620 57.495 54.840 0.058 0.000 0.746 212 L CB -1.288 40.792 42.059 0.036 0.000 0.890 212 L HN 0.274 nan 8.230 nan 0.000 0.432 213 G N -1.636 107.268 108.800 0.173 0.000 2.442 213 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.219 213 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.219 213 G C 1.481 176.570 174.900 0.315 0.000 1.141 213 G CA 0.873 46.203 45.100 0.382 0.000 0.763 213 G HN 0.573 nan 8.290 nan 0.000 0.554 214 Q N 0.034 119.936 119.800 0.169 0.000 2.119 214 Q HA 0.089 4.429 4.340 -0.001 0.000 0.201 214 Q C 2.964 179.026 176.000 0.104 0.000 0.972 214 Q CA 1.283 57.151 55.803 0.108 0.000 0.847 214 Q CB -0.214 28.558 28.738 0.055 0.000 0.903 214 Q HN 0.484 nan 8.270 nan 0.000 0.433 215 A N 0.435 123.314 122.820 0.098 0.000 1.929 215 A HA -0.133 4.186 4.320 -0.001 0.000 0.216 215 A C 1.973 179.633 177.584 0.126 0.000 1.176 215 A CA 0.873 52.964 52.037 0.091 0.000 0.628 215 A CB -0.470 18.575 19.000 0.075 0.000 0.816 215 A HN 0.346 nan 8.150 nan 0.000 0.444 216 L N -0.063 121.240 121.223 0.132 0.000 2.027 216 L HA -0.078 4.261 4.340 -0.001 0.000 0.206 216 L C 2.333 179.308 176.870 0.175 0.000 1.074 216 L CA 1.904 56.816 54.840 0.120 0.000 0.745 216 L CB -0.620 41.478 42.059 0.066 0.000 0.898 216 L HN 0.132 nan 8.230 nan 0.000 0.433 217 V N -0.811 119.246 119.914 0.238 0.000 2.490 217 V HA -0.214 3.905 4.120 -0.001 0.000 0.250 217 V C 2.335 178.507 176.094 0.130 0.000 1.061 217 V CA 1.835 64.272 62.300 0.228 0.000 1.064 217 V CB -0.495 31.476 31.823 0.247 0.000 0.670 217 V HN 0.517 nan 8.190 nan 0.000 0.461 218 S N -2.458 113.302 115.700 0.100 0.000 2.558 218 S HA 0.041 4.511 4.470 -0.001 0.000 0.217 218 S C 0.881 175.501 174.600 0.034 0.000 0.975 218 S CA -0.224 58.001 58.200 0.041 0.000 0.912 218 S CB -0.309 62.899 63.200 0.014 0.000 0.776 218 S HN 0.638 nan 8.310 nan 0.000 0.526 219 H N 4.005 123.081 119.070 0.010 0.000 3.004 219 H HA 0.048 4.604 4.556 -0.001 0.000 0.316 219 H C -1.677 173.646 175.328 -0.008 0.000 1.014 219 H CA -1.098 54.948 56.048 -0.004 0.000 1.454 219 H CB 1.183 30.939 29.762 -0.010 0.000 1.472 219 H HN 0.069 nan 8.280 nan 0.000 0.571 220 P HA -0.140 nan 4.420 nan 0.000 0.221 220 P C 0.700 178.058 177.300 0.098 0.000 1.145 220 P CA 0.970 64.043 63.100 -0.044 0.000 0.795 220 P CB 0.512 32.135 31.700 -0.129 0.000 0.775 221 E N -0.762 119.638 120.200 0.333 0.000 2.442 221 E HA 0.070 4.420 4.350 -0.001 0.000 0.195 221 E C 0.945 177.611 176.600 0.109 0.000 1.030 221 E CA 0.021 56.544 56.400 0.205 0.000 0.869 221 E CB -0.001 29.809 29.700 0.183 0.000 0.857 221 E HN 0.290 nan 8.360 nan 0.000 0.505 222 I N 1.744 122.391 120.570 0.129 0.000 2.441 222 I HA 0.020 4.189 4.170 -0.001 0.000 0.287 222 I C 1.216 177.373 176.117 0.067 0.000 1.049 222 I CA 0.091 61.430 61.300 0.065 0.000 1.381 222 I CB 1.008 39.055 38.000 0.078 0.000 1.409 222 I HN -0.236 nan 8.210 nan 0.000 0.523 223 K N 4.382 124.822 120.400 0.065 0.000 2.374 223 K HA 0.526 4.845 4.320 -0.001 0.000 0.202 223 K C -0.103 176.575 176.600 0.129 0.000 1.040 223 K CA 0.037 56.373 56.287 0.082 0.000 1.085 223 K CB 1.157 33.705 32.500 0.081 0.000 0.873 223 K HN 0.683 nan 8.250 nan 0.000 0.539 224 A N -0.069 122.849 122.820 0.164 0.000 2.583 224 A HA 0.596 4.916 4.320 -0.001 0.000 0.292 224 A C -1.569 176.178 177.584 0.273 0.000 1.045 224 A CA -0.618 51.591 52.037 0.286 0.000 0.672 224 A CB 1.232 20.572 19.000 0.567 0.000 1.283 224 A HN -0.145 nan 8.150 nan 0.000 0.419 225 V N 0.128 120.223 119.914 0.302 0.000 2.760 225 V HA 0.792 4.911 4.120 -0.001 0.000 0.309 225 V C 0.472 176.695 176.094 0.215 0.000 1.077 225 V CA -0.021 62.371 62.300 0.153 0.000 0.910 225 V CB 2.165 33.943 31.823 -0.074 0.000 1.008 225 V HN 1.669 nan 8.190 nan 0.000 0.424 226 G N 2.460 111.439 108.800 0.298 0.000 2.417 226 G HA2 0.722 4.681 3.960 -0.001 0.000 0.320 226 G HA3 0.722 4.681 3.960 -0.001 0.000 0.320 226 G C -1.644 173.463 174.900 0.345 0.000 1.204 226 G CA -0.379 44.967 45.100 0.410 0.000 0.923 226 G HN 0.558 nan 8.290 nan 0.000 0.466 227 F N 1.657 121.673 119.950 0.110 0.000 2.591 227 F HA 0.720 5.247 4.527 -0.001 0.000 0.309 227 F C -0.704 175.230 175.800 0.223 0.000 1.098 227 F CA -0.601 57.494 58.000 0.158 0.000 0.937 227 F CB 2.589 41.580 39.000 -0.015 0.000 1.250 227 F HN 0.406 nan 8.300 nan 0.000 0.447 228 T N 4.138 118.435 114.554 -0.428 0.000 2.949 228 T HA 0.770 5.119 4.350 -0.001 0.000 0.300 228 T C -0.298 174.071 174.700 -0.551 0.000 0.988 228 T CA -0.299 61.684 62.100 -0.195 0.000 0.993 228 T CB 1.072 69.977 68.868 0.063 0.000 0.984 228 T HN 1.154 nan 8.240 nan 0.000 0.442 229 G N 1.838 110.493 108.800 -0.243 0.000 2.360 229 G HA2 0.477 4.437 3.960 -0.001 0.000 0.276 229 G HA3 0.477 4.437 3.960 -0.001 0.000 0.276 229 G C -0.613 174.398 174.900 0.185 0.000 1.256 229 G CA -0.275 44.756 45.100 -0.114 0.000 0.890 229 G HN 0.947 nan 8.290 nan 0.000 0.486 230 S N -0.591 115.227 115.700 0.198 0.000 2.572 230 S HA 0.329 4.799 4.470 -0.001 0.000 0.279 230 S C 1.477 176.184 174.600 0.178 0.000 1.341 230 S CA 0.396 58.684 58.200 0.146 0.000 1.043 230 S CB 1.628 64.887 63.200 0.100 0.000 0.887 230 S HN 1.834 nan 8.310 nan 0.000 0.516 231 V N 3.692 123.654 119.914 0.081 0.000 2.407 231 V HA 0.007 4.126 4.120 -0.001 0.000 0.248 231 V C 2.226 178.328 176.094 0.013 0.000 1.055 231 V CA 2.648 64.960 62.300 0.020 0.000 1.049 231 V CB -1.455 30.355 31.823 -0.021 0.000 0.662 231 V HN 1.091 nan 8.190 nan 0.000 0.455 232 G N -0.429 108.390 108.800 0.031 0.000 2.480 232 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.216 232 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.216 232 G C 1.582 176.475 174.900 -0.012 0.000 1.200 232 G CA 0.854 45.963 45.100 0.016 0.000 0.782 232 G HN 0.678 nan 8.290 nan 0.000 0.554 233 G N 0.528 109.337 108.800 0.014 0.000 2.403 233 G HA2 0.141 4.101 3.960 -0.001 0.000 0.216 233 G HA3 0.141 4.101 3.960 -0.001 0.000 0.216 233 G C 1.773 176.537 174.900 -0.227 0.000 1.154 233 G CA 1.317 46.401 45.100 -0.027 0.000 0.784 233 G HN 0.616 nan 8.290 nan 0.000 0.538 234 G N 0.777 109.409 108.800 -0.278 0.000 2.446 234 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.217 234 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.217 234 G C 1.892 176.521 174.900 -0.452 0.000 1.168 234 G CA 1.215 45.861 45.100 -0.756 0.000 0.771 234 G HN 0.433 nan 8.290 nan 0.000 0.551 235 R N 1.223 121.598 120.500 -0.207 0.000 2.115 235 R HA 0.187 4.527 4.340 -0.001 0.000 0.230 235 R C 2.689 178.919 176.300 -0.117 0.000 1.111 235 R CA 1.640 57.671 56.100 -0.115 0.000 0.976 235 R CB -0.913 29.388 30.300 0.001 0.000 0.870 235 R HN 0.245 nan 8.270 nan 0.000 0.445 236 A N 0.483 123.217 122.820 -0.144 0.000 1.877 236 A HA -0.084 4.236 4.320 -0.001 0.000 0.216 236 A C 2.234 179.702 177.584 -0.193 0.000 1.186 236 A CA 1.491 53.453 52.037 -0.125 0.000 0.620 236 A CB -0.609 18.334 19.000 -0.094 0.000 0.822 236 A HN 0.349 nan 8.150 nan 0.000 0.443 237 L N -1.996 119.043 121.223 -0.305 0.000 2.141 237 L HA -0.115 4.224 4.340 -0.001 0.000 0.209 237 L C 2.454 178.969 176.870 -0.591 0.000 1.094 237 L CA 1.305 55.949 54.840 -0.328 0.000 0.763 237 L CB -0.501 41.373 42.059 -0.308 0.000 0.908 237 L HN 0.543 nan 8.230 nan 0.000 0.437 238 F N 1.529 120.793 119.950 -1.144 0.000 2.075 238 F HA -0.228 4.298 4.527 -0.001 0.000 0.297 238 F C 2.377 177.924 175.800 -0.422 0.000 1.113 238 F CA 1.698 58.919 58.000 -1.298 0.000 1.218 238 F CB -0.291 38.140 39.000 -0.949 0.000 0.984 238 F HN 0.093 nan 8.300 nan 0.000 0.472 239 N N 0.870 119.440 118.700 -0.217 0.000 2.104 239 N HA -0.197 4.542 4.740 -0.001 0.000 0.190 239 N C 1.878 177.268 175.510 -0.200 0.000 1.024 239 N CA 1.475 54.422 53.050 -0.172 0.000 0.853 239 N CB -0.839 37.617 38.487 -0.051 0.000 1.008 239 N HN 0.317 nan 8.380 nan 0.000 0.424 240 L N 1.175 122.283 121.223 -0.192 0.000 2.042 240 L HA -0.060 4.280 4.340 -0.001 0.000 0.210 240 L C 2.111 178.881 176.870 -0.167 0.000 1.076 240 L CA 1.449 56.206 54.840 -0.138 0.000 0.749 240 L CB -0.938 41.064 42.059 -0.095 0.000 0.893 240 L HN 0.152 nan 8.230 nan 0.000 0.432 241 A N -1.858 120.819 122.820 -0.238 0.000 2.019 241 A HA -0.227 4.093 4.320 -0.001 0.000 0.219 241 A C 1.733 178.988 177.584 -0.549 0.000 1.164 241 A CA 1.756 53.618 52.037 -0.291 0.000 0.644 241 A CB -0.863 18.020 19.000 -0.195 0.000 0.805 241 A HN 0.667 nan 8.150 nan 0.000 0.449 242 H N -1.012 117.833 119.070 -0.374 0.000 2.551 242 H HA 0.241 4.796 4.556 -0.001 0.000 0.271 242 H C 1.201 176.414 175.328 -0.193 0.000 0.984 242 H CA 0.567 56.427 56.048 -0.312 0.000 1.164 242 H CB 0.385 29.875 29.762 -0.453 0.000 1.437 242 H HN 0.632 nan 8.280 nan 0.000 0.550 243 E N 0.244 120.374 120.200 -0.116 0.000 2.476 243 E HA 0.099 4.449 4.350 -0.001 0.000 0.199 243 E C 0.250 176.802 176.600 -0.080 0.000 1.021 243 E CA -0.180 56.173 56.400 -0.078 0.000 0.907 243 E CB 0.605 30.263 29.700 -0.070 0.000 0.974 243 E HN 0.296 nan 8.360 nan 0.000 0.489 244 R N 1.391 121.828 120.500 -0.106 0.000 2.756 244 R HA -0.011 4.329 4.340 -0.001 0.000 0.264 244 R C -1.629 174.627 176.300 -0.074 0.000 1.026 244 R CA -0.860 55.187 56.100 -0.089 0.000 1.121 244 R CB -0.124 30.114 30.300 -0.103 0.000 0.999 244 R HN -0.094 nan 8.270 nan 0.000 0.449 245 P HA -0.192 nan 4.420 nan 0.000 0.216 245 P C -0.339 176.932 177.300 -0.048 0.000 1.150 245 P CA 1.370 64.442 63.100 -0.048 0.000 0.843 245 P CB 0.221 31.895 31.700 -0.045 0.000 0.787 246 E N -0.320 119.847 120.200 -0.055 0.000 2.183 246 E HA 0.265 4.614 4.350 -0.001 0.000 0.250 246 E C -2.565 173.984 176.600 -0.086 0.000 0.901 246 E CA -2.886 53.482 56.400 -0.053 0.000 0.741 246 E CB 0.814 30.493 29.700 -0.035 0.000 1.182 246 E HN -0.009 nan 8.360 nan 0.000 0.425 247 P HA 0.057 nan 4.420 nan 0.000 0.266 247 P C -0.625 176.549 177.300 -0.209 0.000 1.195 247 P CA 0.291 63.260 63.100 -0.219 0.000 0.768 247 P CB 0.367 31.977 31.700 -0.149 0.000 0.838 248 I N -0.203 120.178 120.570 -0.315 0.000 2.689 248 I HA 0.653 4.822 4.170 -0.001 0.000 0.299 248 I C -2.802 173.204 176.117 -0.185 0.000 1.059 248 I CA -3.568 57.636 61.300 -0.160 0.000 1.055 248 I CB 2.140 40.108 38.000 -0.054 0.000 1.243 248 I HN 0.045 nan 8.210 nan 0.000 0.425 249 P HA 0.098 nan 4.420 nan 0.000 0.265 249 P C -1.301 175.898 177.300 -0.169 0.000 1.193 249 P CA 0.460 63.445 63.100 -0.192 0.000 0.765 249 P CB 0.109 31.664 31.700 -0.242 0.000 0.823 250 F N 4.111 123.862 119.950 -0.331 0.000 2.577 250 F HA 0.382 4.908 4.527 -0.001 0.000 0.344 250 F C -1.227 174.495 175.800 -0.130 0.000 1.145 250 F CA -0.878 57.082 58.000 -0.066 0.000 0.996 250 F CB 0.747 39.869 39.000 0.202 0.000 1.248 250 F HN 0.208 nan 8.300 nan 0.000 0.447 251 Y N 4.519 124.884 120.300 0.108 0.000 2.700 251 Y HA 0.570 5.119 4.550 -0.001 0.000 0.333 251 Y C 0.639 176.664 175.900 0.208 0.000 1.036 251 Y CA -1.003 57.203 58.100 0.177 0.000 1.287 251 Y CB 1.182 39.664 38.460 0.037 0.000 1.132 251 Y HN 0.681 nan 8.280 nan 0.000 0.510 252 G N 1.869 110.962 108.800 0.489 0.000 2.530 252 G HA2 0.537 4.496 3.960 -0.001 0.000 0.316 252 G HA3 0.537 4.496 3.960 -0.001 0.000 0.316 252 G C -1.131 174.018 174.900 0.415 0.000 1.298 252 G CA -0.832 44.601 45.100 0.556 0.000 0.948 252 G HN 0.340 nan 8.290 nan 0.000 0.486 253 E N 1.951 122.383 120.200 0.386 0.000 2.081 253 E HA 0.319 4.668 4.350 -0.001 0.000 0.281 253 E C 0.932 177.669 176.600 0.227 0.000 0.986 253 E CA -0.345 56.193 56.400 0.230 0.000 0.796 253 E CB 1.618 31.437 29.700 0.199 0.000 1.085 253 E HN 0.373 nan 8.360 nan 0.000 0.398 254 L N 1.476 122.769 121.223 0.116 0.000 2.513 254 L HA 0.459 4.799 4.340 -0.001 0.000 0.222 254 L C 0.910 177.801 176.870 0.035 0.000 1.096 254 L CA 0.073 54.965 54.840 0.086 0.000 0.857 254 L CB 0.040 42.062 42.059 -0.062 0.000 1.026 254 L HN 0.615 nan 8.230 nan 0.000 0.469 255 G N -0.094 108.718 108.800 0.020 0.000 2.347 255 G HA2 0.465 4.425 3.960 -0.001 0.000 0.321 255 G HA3 0.465 4.425 3.960 -0.001 0.000 0.321 255 G C -1.856 173.071 174.900 0.045 0.000 1.412 255 G CA -0.191 44.940 45.100 0.052 0.000 0.990 255 G HN 0.279 nan 8.290 nan 0.000 0.637 256 A N -0.999 121.881 122.820 0.099 0.000 2.567 256 A HA 0.759 5.079 4.320 -0.001 0.000 0.291 256 A C 0.430 178.107 177.584 0.155 0.000 1.048 256 A CA 0.101 52.204 52.037 0.110 0.000 0.661 256 A CB 0.309 19.365 19.000 0.093 0.000 1.288 256 A HN 2.220 nan 8.150 nan 0.000 0.424 257 I N -2.294 118.378 120.570 0.169 0.000 4.070 257 I HA 0.273 4.443 4.170 -0.001 0.000 0.328 257 I C 0.056 176.279 176.117 0.176 0.000 1.298 257 I CA 0.006 61.416 61.300 0.183 0.000 1.173 257 I CB -0.015 38.109 38.000 0.207 0.000 1.051 257 I HN 0.502 nan 8.210 nan 0.000 0.409 258 N N 2.548 121.354 118.700 0.177 0.000 2.641 258 N HA -0.095 4.644 4.740 -0.001 0.000 0.267 258 N C -2.229 173.387 175.510 0.176 0.000 1.087 258 N CA 0.554 53.712 53.050 0.181 0.000 0.731 258 N CB -1.243 37.360 38.487 0.193 0.000 0.886 258 N HN 0.412 nan 8.380 nan 0.000 0.547 259 P HA -0.004 nan 4.420 nan 0.000 0.264 259 P C -0.278 177.095 177.300 0.121 0.000 1.183 259 P CA 0.644 63.833 63.100 0.150 0.000 0.763 259 P CB 0.664 32.550 31.700 0.309 0.000 0.807 260 T N 3.864 118.383 114.554 -0.058 0.000 2.841 260 T HA 0.497 4.847 4.350 -0.001 0.000 0.285 260 T C -0.595 173.995 174.700 -0.183 0.000 0.991 260 T CA -0.098 62.006 62.100 0.007 0.000 0.966 260 T CB 0.338 69.254 68.868 0.079 0.000 0.962 260 T HN 0.087 nan 8.240 nan 0.000 0.438 261 F N 2.977 122.964 119.950 0.061 0.000 2.411 261 F HA 0.591 5.118 4.527 -0.001 0.000 0.352 261 F C 0.213 175.994 175.800 -0.033 0.000 1.123 261 F CA -1.131 56.873 58.000 0.006 0.000 1.044 261 F CB 0.931 39.932 39.000 0.003 0.000 1.135 261 F HN 0.329 nan 8.300 nan 0.000 0.461 262 I N 4.412 124.961 120.570 -0.036 0.000 2.382 262 I HA 0.312 4.482 4.170 -0.001 0.000 0.286 262 I C -0.759 175.278 176.117 -0.133 0.000 1.002 262 I CA -0.599 60.668 61.300 -0.055 0.000 1.135 262 I CB 1.123 38.960 38.000 -0.272 0.000 1.288 262 I HN 0.343 nan 8.210 nan 0.000 0.448 263 F N 7.167 127.107 119.950 -0.016 0.000 2.371 263 F HA 0.324 4.851 4.527 -0.001 0.000 0.329 263 F C -1.313 174.464 175.800 -0.038 0.000 1.107 263 F CA -1.667 56.329 58.000 -0.008 0.000 1.137 263 F CB 0.325 39.342 39.000 0.028 0.000 1.214 263 F HN 0.309 nan 8.300 nan 0.000 0.536 264 P HA -0.214 nan 4.420 nan 0.000 0.216 264 P C 1.636 178.982 177.300 0.078 0.000 1.153 264 P CA 2.364 65.504 63.100 0.066 0.000 0.858 264 P CB -0.003 31.735 31.700 0.063 0.000 0.789 265 S N -0.673 115.092 115.700 0.108 0.000 2.399 265 S HA -0.153 4.316 4.470 -0.001 0.000 0.231 265 S C 2.065 176.704 174.600 0.065 0.000 1.022 265 S CA 1.254 59.496 58.200 0.069 0.000 0.983 265 S CB -1.387 61.841 63.200 0.046 0.000 0.803 265 S HN 0.120 nan 8.310 nan 0.000 0.480 266 A N 1.966 124.839 122.820 0.088 0.000 1.930 266 A HA 0.153 4.472 4.320 -0.001 0.000 0.217 266 A C 2.346 179.965 177.584 0.059 0.000 1.175 266 A CA 1.503 53.584 52.037 0.074 0.000 0.627 266 A CB -0.735 18.325 19.000 0.100 0.000 0.815 266 A HN 0.603 nan 8.150 nan 0.000 0.443 267 M N -1.135 118.491 119.600 0.044 0.000 2.296 267 M HA -0.104 4.376 4.480 -0.001 0.000 0.265 267 M C 2.276 178.621 176.300 0.075 0.000 1.064 267 M CA 1.170 56.507 55.300 0.062 0.000 1.109 267 M CB -0.234 32.384 32.600 0.030 0.000 1.396 267 M HN 0.335 nan 8.290 nan 0.000 0.430 268 R N 0.090 120.625 120.500 0.057 0.000 2.093 268 R HA 0.045 4.384 4.340 -0.001 0.000 0.224 268 R C 2.335 178.665 176.300 0.049 0.000 1.101 268 R CA 1.274 57.403 56.100 0.050 0.000 0.979 268 R CB -0.362 29.962 30.300 0.039 0.000 0.877 268 R HN 0.329 nan 8.270 nan 0.000 0.441 269 A N 1.262 124.112 122.820 0.050 0.000 2.067 269 A HA -0.069 4.251 4.320 -0.001 0.000 0.219 269 A C 0.563 178.182 177.584 0.059 0.000 1.158 269 A CA 1.004 53.070 52.037 0.049 0.000 0.661 269 A CB 0.122 19.151 19.000 0.047 0.000 0.801 269 A HN 0.110 nan 8.150 nan 0.000 0.452 270 K N -0.603 119.840 120.400 0.072 0.000 2.626 270 K HA 0.509 4.828 4.320 -0.001 0.000 0.223 270 K C 0.605 177.258 176.600 0.088 0.000 0.992 270 K CA 0.210 56.547 56.287 0.084 0.000 1.024 270 K CB 1.484 34.049 32.500 0.107 0.000 1.225 270 K HN 0.153 nan 8.250 nan 0.000 0.498 271 A N 2.222 125.082 122.820 0.066 0.000 1.986 271 A HA -0.192 4.128 4.320 -0.001 0.000 0.220 271 A C 1.364 178.979 177.584 0.052 0.000 1.171 271 A CA 1.957 54.028 52.037 0.056 0.000 0.640 271 A CB -0.245 18.776 19.000 0.036 0.000 0.811 271 A HN 0.790 nan 8.150 nan 0.000 0.451 272 D N -0.732 119.699 120.400 0.052 0.000 2.395 272 D HA 0.099 4.739 4.640 -0.001 0.000 0.226 272 D C 1.151 177.485 176.300 0.057 0.000 1.146 272 D CA -0.268 53.749 54.000 0.028 0.000 0.830 272 D CB -0.120 40.690 40.800 0.016 0.000 0.958 272 D HN 0.235 nan 8.370 nan 0.000 0.501 273 L N 1.333 122.634 121.223 0.130 0.000 2.046 273 L HA -0.026 4.313 4.340 -0.001 0.000 0.208 273 L C 2.395 179.392 176.870 0.212 0.000 1.077 273 L CA 1.818 56.808 54.840 0.249 0.000 0.747 273 L CB -0.744 41.511 42.059 0.326 0.000 0.896 273 L HN 0.161 nan 8.230 nan 0.000 0.432 274 A N -0.722 122.062 122.820 -0.059 0.000 1.902 274 A HA -0.253 4.066 4.320 -0.001 0.000 0.217 274 A C 1.914 179.326 177.584 -0.285 0.000 1.181 274 A CA 2.029 53.718 52.037 -0.580 0.000 0.623 274 A CB -0.935 17.588 19.000 -0.795 0.000 0.818 274 A HN 0.538 nan 8.150 nan 0.000 0.443 275 D N -0.528 119.756 120.400 -0.194 0.000 2.117 275 D HA -0.156 4.483 4.640 -0.001 0.000 0.197 275 D C 2.184 178.340 176.300 -0.240 0.000 0.987 275 D CA 1.522 55.407 54.000 -0.191 0.000 0.829 275 D CB -0.260 40.464 40.800 -0.126 0.000 0.961 275 D HN 0.596 nan 8.370 nan 0.000 0.460 276 Q N -0.756 118.924 119.800 -0.201 0.000 2.084 276 Q HA -0.163 4.177 4.340 -0.001 0.000 0.202 276 Q C 1.942 177.455 176.000 -0.812 0.000 0.978 276 Q CA 0.894 56.481 55.803 -0.360 0.000 0.844 276 Q CB -0.208 28.488 28.738 -0.070 0.000 0.898 276 Q HN 0.322 nan 8.270 nan 0.000 0.426 277 F N 0.923 120.344 119.950 -0.883 0.000 2.069 277 F HA -0.221 4.305 4.527 -0.001 0.000 0.298 277 F C 1.984 177.422 175.800 -0.605 0.000 1.113 277 F CA 1.236 58.642 58.000 -0.989 0.000 1.214 277 F CB -0.661 38.135 39.000 -0.339 0.000 0.978 277 F HN -0.200 nan 8.300 nan 0.000 0.474 278 V N 0.839 120.293 119.914 -0.766 0.000 2.469 278 V HA -0.307 3.812 4.120 -0.001 0.000 0.251 278 V C 2.759 178.513 176.094 -0.566 0.000 1.064 278 V CA 1.781 63.638 62.300 -0.738 0.000 1.066 278 V CB -1.723 29.829 31.823 -0.451 0.000 0.667 278 V HN 0.544 nan 8.190 nan 0.000 0.461 279 A N -0.997 121.529 122.820 -0.491 0.000 1.968 279 A HA -0.170 4.149 4.320 -0.001 0.000 0.217 279 A C 2.528 179.861 177.584 -0.418 0.000 1.169 279 A CA 1.902 53.708 52.037 -0.386 0.000 0.638 279 A CB -0.533 18.279 19.000 -0.313 0.000 0.812 279 A HN 0.480 nan 8.150 nan 0.000 0.446 280 S N 0.089 115.470 115.700 -0.533 0.000 2.357 280 S HA -0.155 4.314 4.470 -0.001 0.000 0.221 280 S C 2.175 176.556 174.600 -0.366 0.000 1.031 280 S CA 1.626 59.573 58.200 -0.421 0.000 0.982 280 S CB -0.495 62.459 63.200 -0.411 0.000 0.853 280 S HN 0.671 nan 8.310 nan 0.000 0.458 281 M N 0.903 120.228 119.600 -0.459 0.000 2.394 281 M HA 0.073 4.553 4.480 -0.001 0.000 0.264 281 M C 1.603 177.715 176.300 -0.313 0.000 1.073 281 M CA 1.703 56.784 55.300 -0.364 0.000 1.111 281 M CB -0.838 31.442 32.600 -0.533 0.000 1.401 281 M HN 0.350 nan 8.290 nan 0.000 0.448 282 T N -2.503 111.846 114.554 -0.342 0.000 3.069 282 T HA 0.339 4.689 4.350 -0.001 0.000 0.252 282 T C 0.510 175.066 174.700 -0.239 0.000 1.053 282 T CA -0.489 61.451 62.100 -0.266 0.000 0.964 282 T CB -0.106 68.612 68.868 -0.252 0.000 1.005 282 T HN 0.432 nan 8.240 nan 0.000 0.532 283 M N 2.145 121.559 119.600 -0.310 0.000 2.248 283 M HA 0.396 4.875 4.480 -0.001 0.000 0.345 283 M C 1.273 177.476 176.300 -0.161 0.000 1.243 283 M CA 1.355 56.454 55.300 -0.334 0.000 1.090 283 M CB -0.015 32.200 32.600 -0.642 0.000 1.683 283 M HN 0.547 nan 8.290 nan 0.000 0.450 284 G N 3.528 112.344 108.800 0.026 0.000 2.283 284 G HA2 -0.283 3.677 3.960 -0.001 0.000 0.280 284 G HA3 -0.283 3.677 3.960 -0.001 0.000 0.280 284 G C 0.418 175.322 174.900 0.007 0.000 1.029 284 G CA 0.054 45.249 45.100 0.160 0.000 0.840 284 G HN 1.140 nan 8.290 nan 0.000 0.505 285 C N -2.283 116.971 119.300 -0.078 0.000 4.365 285 C HA 0.023 4.482 4.460 -0.001 0.000 0.299 285 C C 2.424 177.288 174.990 -0.209 0.000 1.409 285 C CA 1.313 60.242 59.018 -0.148 0.000 2.007 285 C CB -1.933 25.717 27.740 -0.150 0.000 1.264 285 C HN 2.724 nan 8.230 nan 0.000 0.777 286 G N -0.586 108.111 108.800 -0.171 0.000 2.168 286 G HA2 -0.320 3.640 3.960 -0.001 0.000 0.263 286 G HA3 -0.320 3.640 3.960 -0.001 0.000 0.263 286 G C 0.163 174.904 174.900 -0.266 0.000 0.977 286 G CA 0.701 45.684 45.100 -0.197 0.000 0.659 286 G HN 0.853 nan 8.290 nan 0.000 0.533 287 Q N -0.427 119.252 119.800 -0.201 0.000 2.642 287 Q HA 0.483 4.822 4.340 -0.001 0.000 0.319 287 Q C -0.503 175.565 176.000 0.114 0.000 1.030 287 Q CA -0.075 55.494 55.803 -0.389 0.000 0.943 287 Q CB 0.087 28.695 28.738 -0.218 0.000 1.323 287 Q HN 0.414 nan 8.270 nan 0.000 0.419 288 F N -0.671 119.268 119.950 -0.018 0.000 2.469 288 F HA 0.134 4.660 4.527 -0.001 0.000 0.332 288 F C 1.305 177.245 175.800 0.234 0.000 1.103 288 F CA -1.714 56.407 58.000 0.201 0.000 0.979 288 F CB 1.013 40.109 39.000 0.159 0.000 1.137 288 F HN 0.255 nan 8.300 nan 0.000 0.463 289 C N -1.508 117.996 119.300 0.339 0.000 2.432 289 C HA -0.065 4.394 4.460 -0.001 0.000 0.282 289 C C 1.901 177.051 174.990 0.266 0.000 1.388 289 C CA 0.920 60.101 59.018 0.272 0.000 1.777 289 C CB -1.966 25.846 27.740 0.119 0.000 1.882 289 C HN 0.869 nan 8.230 nan 0.000 0.520 290 T N -2.371 112.378 114.554 0.326 0.000 3.186 290 T HA 0.131 4.480 4.350 -0.001 0.000 0.257 290 T C 0.367 175.236 174.700 0.282 0.000 1.029 290 T CA -0.250 62.029 62.100 0.298 0.000 0.916 290 T CB -0.328 68.737 68.868 0.328 0.000 1.041 290 T HN 0.637 nan 8.240 nan 0.000 0.562 291 K N 3.444 124.009 120.400 0.275 0.000 2.451 291 K HA 0.101 4.420 4.320 -0.001 0.000 0.280 291 K C -2.388 174.331 176.600 0.198 0.000 1.020 291 K CA -1.570 54.829 56.287 0.188 0.000 1.008 291 K CB 0.426 33.004 32.500 0.129 0.000 0.917 291 K HN 0.116 nan 8.250 nan 0.000 0.478 292 P HA 0.018 nan 4.420 nan 0.000 0.268 292 P C 0.105 177.555 177.300 0.250 0.000 1.282 292 P CA 0.038 63.315 63.100 0.295 0.000 0.880 292 P CB 0.772 32.765 31.700 0.489 0.000 0.971 293 G N 2.745 111.655 108.800 0.184 0.000 2.683 293 G HA2 0.129 4.088 3.960 -0.001 0.000 0.213 293 G HA3 0.129 4.088 3.960 -0.001 0.000 0.213 293 G C 0.047 174.995 174.900 0.080 0.000 1.142 293 G CA 0.194 45.385 45.100 0.151 0.000 0.793 293 G HN 0.516 nan 8.290 nan 0.000 0.534 294 V N 0.302 120.203 119.914 -0.022 0.000 2.777 294 V HA 0.599 4.719 4.120 -0.001 0.000 0.306 294 V C -1.546 174.262 176.094 -0.477 0.000 1.112 294 V CA -0.683 61.434 62.300 -0.306 0.000 0.917 294 V CB 2.369 33.896 31.823 -0.493 0.000 1.018 294 V HN -0.114 nan 8.190 nan 0.000 0.426 295 V N 7.475 127.027 119.914 -0.604 0.000 2.409 295 V HA 0.560 4.679 4.120 -0.001 0.000 0.291 295 V C -0.662 174.942 176.094 -0.818 0.000 1.020 295 V CA -0.439 61.493 62.300 -0.613 0.000 0.848 295 V CB 1.561 33.057 31.823 -0.545 0.000 0.990 295 V HN 0.732 nan 8.190 nan 0.000 0.430 296 F N 3.495 123.091 119.950 -0.589 0.000 2.408 296 F HA 0.799 5.325 4.527 -0.001 0.000 0.344 296 F C 0.577 176.126 175.800 -0.418 0.000 1.112 296 F CA -0.159 57.516 58.000 -0.542 0.000 1.096 296 F CB 1.627 40.205 39.000 -0.703 0.000 1.129 296 F HN 0.585 nan 8.300 nan 0.000 0.486 297 A N 3.571 126.278 122.820 -0.189 0.000 2.566 297 A HA 0.827 5.147 4.320 -0.001 0.000 0.292 297 A C -1.298 176.193 177.584 -0.155 0.000 1.112 297 A CA -0.819 51.079 52.037 -0.231 0.000 0.707 297 A CB 1.290 20.099 19.000 -0.319 0.000 1.302 297 A HN 0.682 nan 8.150 nan 0.000 0.409 298 L N 0.749 121.878 121.223 -0.158 0.000 2.399 298 L HA 0.336 4.675 4.340 -0.001 0.000 0.266 298 L C 0.895 177.727 176.870 -0.063 0.000 1.114 298 L CA -0.419 54.364 54.840 -0.095 0.000 0.804 298 L CB 0.941 42.950 42.059 -0.083 0.000 1.146 298 L HN 0.911 nan 8.230 nan 0.000 0.451 299 N N 1.165 119.846 118.700 -0.031 0.000 2.971 299 N HA 0.032 4.772 4.740 -0.001 0.000 0.294 299 N C -0.623 174.883 175.510 -0.007 0.000 1.210 299 N CA -0.253 52.788 53.050 -0.014 0.000 1.157 299 N CB 0.144 38.632 38.487 0.001 0.000 1.450 299 N HN 0.691 nan 8.380 nan 0.000 0.527 300 T N -1.387 113.161 114.554 -0.011 0.000 2.907 300 T HA 0.394 4.743 4.350 -0.001 0.000 0.290 300 T C -2.120 172.584 174.700 0.007 0.000 1.066 300 T CA -1.734 60.367 62.100 0.001 0.000 1.012 300 T CB 1.753 70.622 68.868 0.002 0.000 1.184 300 T HN -0.112 nan 8.240 nan 0.000 0.522 301 P HA -0.033 nan 4.420 nan 0.000 0.218 301 P C 1.120 178.439 177.300 0.031 0.000 1.148 301 P CA 1.017 64.129 63.100 0.021 0.000 0.822 301 P CB 0.062 31.774 31.700 0.020 0.000 0.784 302 E N -1.122 119.095 120.200 0.029 0.000 2.085 302 E HA -0.147 4.203 4.350 -0.001 0.000 0.194 302 E C 1.981 178.619 176.600 0.063 0.000 0.994 302 E CA 1.763 58.190 56.400 0.044 0.000 0.801 302 E CB -1.254 28.462 29.700 0.028 0.000 0.743 302 E HN 0.214 nan 8.360 nan 0.000 0.453 303 T N 0.295 114.859 114.554 0.016 0.000 2.777 303 T HA -0.182 4.167 4.350 -0.001 0.000 0.266 303 T C 1.819 176.572 174.700 0.088 0.000 1.040 303 T CA 1.384 63.489 62.100 0.007 0.000 1.141 303 T CB -0.213 68.617 68.868 -0.063 0.000 0.868 303 T HN 0.046 nan 8.240 nan 0.000 0.444 304 Q N 1.413 121.246 119.800 0.055 0.000 2.084 304 Q HA 0.057 4.396 4.340 -0.001 0.000 0.202 304 Q C 2.272 178.310 176.000 0.064 0.000 0.978 304 Q CA 1.856 57.689 55.803 0.050 0.000 0.844 304 Q CB -0.742 28.013 28.738 0.028 0.000 0.898 304 Q HN 0.504 nan 8.270 nan 0.000 0.426 305 A N -0.574 122.291 122.820 0.074 0.000 1.898 305 A HA -0.120 4.199 4.320 -0.001 0.000 0.216 305 A C 2.018 179.653 177.584 0.084 0.000 1.181 305 A CA 1.242 53.317 52.037 0.062 0.000 0.620 305 A CB -0.976 18.060 19.000 0.060 0.000 0.819 305 A HN 0.535 nan 8.150 nan 0.000 0.442 306 F N 0.775 120.711 119.950 -0.023 0.000 2.069 306 F HA -0.200 4.327 4.527 -0.001 0.000 0.298 306 F C 2.029 177.814 175.800 -0.025 0.000 1.113 306 F CA 1.989 59.974 58.000 -0.025 0.000 1.214 306 F CB -0.255 38.718 39.000 -0.046 0.000 0.978 306 F HN 0.182 nan 8.300 nan 0.000 0.474 307 I N 0.306 121.009 120.570 0.222 0.000 2.151 307 I HA -0.333 3.836 4.170 -0.001 0.000 0.243 307 I C 2.322 178.422 176.117 -0.028 0.000 1.080 307 I CA 1.935 63.291 61.300 0.093 0.000 1.339 307 I CB -0.632 37.417 38.000 0.083 0.000 1.039 307 I HN 0.269 nan 8.210 nan 0.000 0.409 308 E N 0.017 120.204 120.200 -0.022 0.000 2.153 308 E HA -0.174 4.175 4.350 -0.001 0.000 0.194 308 E C 2.112 178.663 176.600 -0.082 0.000 0.988 308 E CA 1.721 58.093 56.400 -0.046 0.000 0.811 308 E CB -0.026 29.660 29.700 -0.025 0.000 0.746 308 E HN 0.497 nan 8.360 nan 0.000 0.466 309 T N 0.654 115.138 114.554 -0.117 0.000 2.770 309 T HA -0.105 4.244 4.350 -0.001 0.000 0.263 309 T C 2.007 176.594 174.700 -0.188 0.000 1.039 309 T CA 1.099 63.109 62.100 -0.150 0.000 1.142 309 T CB -0.219 68.540 68.868 -0.181 0.000 0.868 309 T HN 0.231 nan 8.240 nan 0.000 0.435 310 A N 1.558 124.225 122.820 -0.255 0.000 1.883 310 A HA -0.222 4.097 4.320 -0.001 0.000 0.217 310 A C 2.296 179.787 177.584 -0.155 0.000 1.186 310 A CA 1.828 53.732 52.037 -0.221 0.000 0.624 310 A CB -0.830 18.067 19.000 -0.171 0.000 0.822 310 A HN 0.544 nan 8.150 nan 0.000 0.444 311 Q N -0.857 118.868 119.800 -0.124 0.000 2.077 311 Q HA -0.186 4.153 4.340 -0.001 0.000 0.206 311 Q C 2.512 178.446 176.000 -0.109 0.000 0.989 311 Q CA 1.881 57.615 55.803 -0.115 0.000 0.853 311 Q CB -0.313 28.367 28.738 -0.096 0.000 0.907 311 Q HN 0.671 nan 8.270 nan 0.000 0.418 312 S N 0.240 115.880 115.700 -0.100 0.000 2.370 312 S HA -0.128 4.341 4.470 -0.001 0.000 0.226 312 S C 1.883 176.426 174.600 -0.096 0.000 1.033 312 S CA 0.941 59.089 58.200 -0.086 0.000 1.011 312 S CB -0.187 62.967 63.200 -0.078 0.000 0.852 312 S HN 0.282 nan 8.310 nan 0.000 0.457 313 L N 1.006 122.157 121.223 -0.120 0.000 2.046 313 L HA -0.083 4.257 4.340 -0.001 0.000 0.208 313 L C 2.412 179.205 176.870 -0.128 0.000 1.077 313 L CA 0.825 55.587 54.840 -0.130 0.000 0.747 313 L CB -0.525 41.434 42.059 -0.166 0.000 0.896 313 L HN 0.339 nan 8.230 nan 0.000 0.432 314 I N 0.154 120.640 120.570 -0.140 0.000 2.208 314 I HA -0.287 3.882 4.170 -0.001 0.000 0.245 314 I C 2.679 178.743 176.117 -0.089 0.000 1.097 314 I CA 1.591 62.812 61.300 -0.131 0.000 1.363 314 I CB -1.028 36.882 38.000 -0.150 0.000 1.051 314 I HN 0.324 nan 8.210 nan 0.000 0.413 315 R N 0.431 120.884 120.500 -0.078 0.000 2.127 315 R HA -0.183 4.156 4.340 -0.001 0.000 0.238 315 R C 1.987 178.261 176.300 -0.045 0.000 1.134 315 R CA 1.111 57.181 56.100 -0.049 0.000 0.975 315 R CB -0.259 30.012 30.300 -0.047 0.000 0.865 315 R HN 0.588 nan 8.270 nan 0.000 0.447 316 Q N 0.152 119.917 119.800 -0.059 0.000 2.424 316 Q HA 0.024 4.363 4.340 -0.001 0.000 0.204 316 Q C 0.129 176.095 176.000 -0.057 0.000 0.933 316 Q CA 0.078 55.848 55.803 -0.055 0.000 0.929 316 Q CB 0.296 28.997 28.738 -0.061 0.000 1.037 316 Q HN 0.166 nan 8.270 nan 0.000 0.511 317 Q N 1.925 121.685 119.800 -0.067 0.000 2.283 317 Q HA -0.005 4.335 4.340 -0.001 0.000 0.301 317 Q C 0.159 176.129 176.000 -0.051 0.000 1.063 317 Q CA 0.395 56.156 55.803 -0.070 0.000 0.952 317 Q CB 0.679 29.367 28.738 -0.083 0.000 1.166 317 Q HN 0.277 nan 8.270 nan 0.000 0.381 318 S N 2.822 118.492 115.700 -0.050 0.000 2.593 318 S HA 0.399 4.868 4.470 -0.001 0.000 0.269 318 S C -2.256 172.324 174.600 -0.033 0.000 1.334 318 S CA -1.251 56.928 58.200 -0.035 0.000 1.015 318 S CB 0.312 63.494 63.200 -0.031 0.000 0.912 318 S HN 0.298 nan 8.310 nan 0.000 0.541 319 P HA 0.194 nan 4.420 nan 0.000 0.266 319 P C -0.785 176.498 177.300 -0.028 0.000 1.193 319 P CA 0.052 63.140 63.100 -0.020 0.000 0.770 319 P CB 0.413 32.109 31.700 -0.007 0.000 0.836 320 S N 0.910 116.581 115.700 -0.048 0.000 2.472 320 S HA 0.462 4.931 4.470 -0.001 0.000 0.303 320 S C -0.374 174.183 174.600 -0.072 0.000 1.099 320 S CA -0.534 57.621 58.200 -0.075 0.000 1.077 320 S CB 1.022 64.139 63.200 -0.140 0.000 1.031 320 S HN 0.283 nan 8.310 nan 0.000 0.487 321 T N 3.968 118.483 114.554 -0.067 0.000 2.801 321 T HA 0.392 4.741 4.350 -0.001 0.000 0.306 321 T C 0.197 174.813 174.700 -0.139 0.000 1.020 321 T CA -0.439 61.607 62.100 -0.090 0.000 0.948 321 T CB -0.025 68.786 68.868 -0.094 0.000 0.962 321 T HN 0.354 nan 8.240 nan 0.000 0.465 322 L N 3.308 124.458 121.223 -0.123 0.000 2.466 322 L HA 0.331 4.671 4.340 -0.001 0.000 0.257 322 L C 1.949 178.758 176.870 -0.100 0.000 1.189 322 L CA -0.657 54.120 54.840 -0.105 0.000 0.813 322 L CB 0.356 42.377 42.059 -0.064 0.000 1.118 322 L HN 0.598 nan 8.230 nan 0.000 0.471 323 L N 0.142 121.333 121.223 -0.053 0.000 2.064 323 L HA -0.196 4.143 4.340 -0.001 0.000 0.216 323 L C 1.134 177.968 176.870 -0.059 0.000 1.077 323 L CA 1.903 56.705 54.840 -0.064 0.000 0.766 323 L CB -0.751 41.308 42.059 -0.001 0.000 0.890 323 L HN 0.920 nan 8.230 nan 0.000 0.435 324 T N -7.382 107.166 114.554 -0.010 0.000 2.754 324 T HA 0.345 4.694 4.350 -0.001 0.000 0.296 324 T C -2.446 172.268 174.700 0.024 0.000 1.205 324 T CA -1.298 60.805 62.100 0.005 0.000 1.009 324 T CB 1.634 70.528 68.868 0.044 0.000 1.368 324 T HN -0.374 nan 8.240 nan 0.000 0.509 325 P HA 0.146 nan 4.420 nan 0.000 0.217 325 P C 1.791 179.129 177.300 0.062 0.000 1.154 325 P CA 1.216 64.342 63.100 0.043 0.000 0.841 325 P CB -0.394 31.330 31.700 0.041 0.000 0.788 326 G N 0.018 108.858 108.800 0.068 0.000 2.421 326 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.216 326 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.216 326 G C 1.531 176.491 174.900 0.101 0.000 1.171 326 G CA 0.557 45.703 45.100 0.077 0.000 0.775 326 G HN 0.213 nan 8.290 nan 0.000 0.543 327 I N 0.138 120.775 120.570 0.112 0.000 2.394 327 I HA -0.113 4.056 4.170 -0.001 0.000 0.251 327 I C 2.830 179.061 176.117 0.190 0.000 1.136 327 I CA 0.904 62.304 61.300 0.165 0.000 1.425 327 I CB -0.150 37.959 38.000 0.183 0.000 1.079 327 I HN 0.146 nan 8.210 nan 0.000 0.425 328 R N 1.040 121.619 120.500 0.132 0.000 2.062 328 R HA -0.181 4.159 4.340 -0.001 0.000 0.231 328 R C 1.824 178.225 176.300 0.169 0.000 1.136 328 R CA 1.991 58.171 56.100 0.133 0.000 0.948 328 R CB -0.206 30.137 30.300 0.072 0.000 0.845 328 R HN 0.274 nan 8.270 nan 0.000 0.430 329 D N 0.246 120.719 120.400 0.121 0.000 2.104 329 D HA -0.117 4.523 4.640 -0.001 0.000 0.194 329 D C 2.012 178.381 176.300 0.116 0.000 0.994 329 D CA 1.567 55.628 54.000 0.101 0.000 0.830 329 D CB -0.348 40.496 40.800 0.073 0.000 0.959 329 D HN 0.186 nan 8.370 nan 0.000 0.452 330 S N 0.043 115.824 115.700 0.136 0.000 2.370 330 S HA -0.212 4.257 4.470 -0.001 0.000 0.226 330 S C 1.854 176.548 174.600 0.157 0.000 1.033 330 S CA 0.901 59.182 58.200 0.136 0.000 1.011 330 S CB -0.491 62.801 63.200 0.154 0.000 0.852 330 S HN 0.350 nan 8.310 nan 0.000 0.457 331 Y N 2.231 122.597 120.300 0.108 0.000 2.114 331 Y HA -0.210 4.340 4.550 -0.001 0.000 0.284 331 Y C 2.455 178.412 175.900 0.096 0.000 1.143 331 Y CA 1.771 59.939 58.100 0.113 0.000 1.135 331 Y CB -0.602 37.919 38.460 0.100 0.000 0.980 331 Y HN 0.262 nan 8.280 nan 0.000 0.499 332 Q N -0.319 119.533 119.800 0.088 0.000 2.030 332 Q HA -0.207 4.132 4.340 -0.001 0.000 0.204 332 Q C 2.484 178.448 176.000 -0.061 0.000 0.986 332 Q CA 2.457 58.250 55.803 -0.017 0.000 0.843 332 Q CB -0.381 28.388 28.738 0.052 0.000 0.904 332 Q HN 0.628 nan 8.270 nan 0.000 0.420 333 S N 0.307 116.002 115.700 -0.008 0.000 2.402 333 S HA -0.176 4.294 4.470 -0.001 0.000 0.229 333 S C 1.848 176.446 174.600 -0.002 0.000 1.021 333 S CA 0.964 59.166 58.200 0.002 0.000 0.974 333 S CB -0.191 63.024 63.200 0.025 0.000 0.800 333 S HN 0.318 nan 8.310 nan 0.000 0.484 334 Q N 0.918 120.706 119.800 -0.021 0.000 2.083 334 Q HA -0.013 4.326 4.340 -0.001 0.000 0.198 334 Q C 2.597 178.579 176.000 -0.030 0.000 0.969 334 Q CA 1.568 57.361 55.803 -0.018 0.000 0.838 334 Q CB -0.546 28.192 28.738 -0.000 0.000 0.900 334 Q HN 0.702 nan 8.270 nan 0.000 0.436 335 V N -2.620 117.241 119.914 -0.088 0.000 2.358 335 V HA -0.141 3.979 4.120 -0.001 0.000 0.246 335 V C 2.098 178.369 176.094 0.296 0.000 1.047 335 V CA 1.257 63.636 62.300 0.132 0.000 1.035 335 V CB -0.843 30.988 31.823 0.013 0.000 0.658 335 V HN 0.093 nan 8.190 nan 0.000 0.452 336 V N 0.666 120.663 119.914 0.139 0.000 2.427 336 V HA -0.203 3.917 4.120 -0.001 0.000 0.248 336 V C 2.928 179.107 176.094 0.141 0.000 1.051 336 V CA 2.395 64.788 62.300 0.155 0.000 1.048 336 V CB -0.475 31.360 31.823 0.021 0.000 0.666 336 V HN 0.695 nan 8.190 nan 0.000 0.456 337 S N -0.423 115.328 115.700 0.086 0.000 2.383 337 S HA -0.209 4.261 4.470 -0.001 0.000 0.227 337 S C 2.212 176.856 174.600 0.072 0.000 1.026 337 S CA 1.696 59.938 58.200 0.071 0.000 0.981 337 S CB -0.236 62.994 63.200 0.050 0.000 0.818 337 S HN 0.563 nan 8.310 nan 0.000 0.472 338 R N 0.016 120.529 120.500 0.023 0.000 2.090 338 R HA 0.031 4.371 4.340 -0.001 0.000 0.228 338 R C 2.304 178.573 176.300 -0.050 0.000 1.110 338 R CA 1.248 57.282 56.100 -0.110 0.000 0.973 338 R CB -0.850 29.156 30.300 -0.491 0.000 0.869 338 R HN 0.471 nan 8.270 nan 0.000 0.440 339 G N -0.869 108.050 108.800 0.199 0.000 2.535 339 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.218 339 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.218 339 G C 1.080 176.071 174.900 0.152 0.000 1.122 339 G CA 0.624 45.895 45.100 0.285 0.000 0.769 339 G HN 0.304 nan 8.290 nan 0.000 0.549 340 S N 0.169 115.947 115.700 0.131 0.000 2.478 340 S HA 0.087 4.556 4.470 -0.001 0.000 0.222 340 S C 0.747 175.415 174.600 0.114 0.000 1.008 340 S CA -0.321 57.946 58.200 0.112 0.000 0.928 340 S CB 0.140 63.400 63.200 0.101 0.000 0.781 340 S HN 0.334 nan 8.310 nan 0.000 0.518 341 D N 3.100 123.581 120.400 0.135 0.000 2.362 341 D HA 0.036 4.676 4.640 -0.001 0.000 0.238 341 D C -0.113 176.295 176.300 0.180 0.000 1.212 341 D CA 0.279 54.394 54.000 0.190 0.000 0.902 341 D CB 0.295 41.290 40.800 0.326 0.000 1.180 341 D HN 0.342 nan 8.370 nan 0.000 0.445 342 D N -0.985 119.535 120.400 0.200 0.000 2.351 342 D HA 0.271 4.910 4.640 -0.001 0.000 0.251 342 D C 0.907 177.328 176.300 0.201 0.000 1.137 342 D CA -0.424 53.686 54.000 0.183 0.000 0.879 342 D CB 0.929 41.849 40.800 0.198 0.000 1.181 342 D HN 0.564 nan 8.370 nan 0.000 0.448 343 G N 1.882 110.789 108.800 0.179 0.000 2.160 343 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.244 343 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.244 343 G C -0.095 174.933 174.900 0.213 0.000 1.022 343 G CA 0.125 45.350 45.100 0.209 0.000 0.741 343 G HN 0.676 nan 8.290 nan 0.000 0.508 344 I N 0.269 120.895 120.570 0.092 0.000 2.548 344 I HA 0.431 4.600 4.170 -0.001 0.000 0.287 344 I C -1.120 174.985 176.117 -0.021 0.000 1.103 344 I CA -0.969 60.291 61.300 -0.068 0.000 1.049 344 I CB 1.705 39.478 38.000 -0.378 0.000 1.232 344 I HN 0.107 nan 8.210 nan 0.000 0.429 345 D N 5.706 126.086 120.400 -0.032 0.000 2.175 345 D HA 0.536 5.175 4.640 -0.001 0.000 0.248 345 D C -1.425 174.801 176.300 -0.124 0.000 1.047 345 D CA -0.124 53.843 54.000 -0.055 0.000 0.883 345 D CB 2.045 42.813 40.800 -0.054 0.000 1.180 345 D HN 0.232 nan 8.370 nan 0.000 0.438 346 V N 2.906 122.674 119.914 -0.243 0.000 2.709 346 V HA 0.604 4.724 4.120 -0.001 0.000 0.308 346 V C -1.051 174.664 176.094 -0.633 0.000 1.062 346 V CA -0.296 61.643 62.300 -0.602 0.000 0.901 346 V CB 2.173 33.489 31.823 -0.846 0.000 1.003 346 V HN 0.712 nan 8.190 nan 0.000 0.425 347 T N 7.527 121.659 114.554 -0.704 0.000 2.786 347 T HA 0.660 5.009 4.350 -0.001 0.000 0.283 347 T C -0.985 173.391 174.700 -0.541 0.000 0.992 347 T CA 0.034 61.853 62.100 -0.467 0.000 0.954 347 T CB 0.767 69.468 68.868 -0.278 0.000 0.934 347 T HN 0.425 nan 8.240 nan 0.000 0.440 348 F N 1.718 121.568 119.950 -0.166 0.000 2.523 348 F HA 0.636 5.163 4.527 -0.001 0.000 0.329 348 F C 1.125 176.867 175.800 -0.097 0.000 1.061 348 F CA -0.993 56.925 58.000 -0.136 0.000 0.967 348 F CB 1.537 40.475 39.000 -0.103 0.000 1.218 348 F HN 0.557 nan 8.300 nan 0.000 0.480 349 S N 0.334 116.127 115.700 0.155 0.000 2.730 349 S HA 0.406 4.875 4.470 -0.001 0.000 0.284 349 S C -0.602 174.026 174.600 0.045 0.000 1.153 349 S CA -0.902 57.330 58.200 0.052 0.000 0.995 349 S CB 1.319 64.527 63.200 0.013 0.000 1.058 349 S HN 0.688 nan 8.310 nan 0.000 0.552 350 Q N 0.285 120.092 119.800 0.010 0.000 2.274 350 Q HA 0.581 4.920 4.340 -0.001 0.000 0.256 350 Q C -0.996 174.997 176.000 -0.013 0.000 0.927 350 Q CA -0.590 55.210 55.803 -0.004 0.000 0.939 350 Q CB 0.852 29.586 28.738 -0.008 0.000 1.201 350 Q HN 0.944 nan 8.270 nan 0.000 0.426 351 A N 4.024 126.829 122.820 -0.025 0.000 2.577 351 A HA 0.485 4.804 4.320 -0.001 0.000 0.297 351 A C -1.597 175.969 177.584 -0.030 0.000 1.060 351 A CA -0.846 51.178 52.037 -0.022 0.000 0.697 351 A CB 1.718 20.709 19.000 -0.015 0.000 1.281 351 A HN 0.687 nan 8.150 nan 0.000 0.402 352 E N 0.958 121.147 120.200 -0.018 0.000 2.183 352 E HA 0.439 4.788 4.350 -0.001 0.000 0.271 352 E C -0.080 176.516 176.600 -0.007 0.000 0.919 352 E CA -0.415 55.975 56.400 -0.017 0.000 0.781 352 E CB 1.996 31.690 29.700 -0.011 0.000 1.140 352 E HN 0.580 nan 8.360 nan 0.000 0.402 353 S N 2.996 118.692 115.700 -0.008 0.000 2.563 353 S HA 0.037 4.506 4.470 -0.001 0.000 0.284 353 S C -1.018 173.588 174.600 0.010 0.000 1.331 353 S CA -0.868 57.334 58.200 0.004 0.000 1.047 353 S CB 0.355 63.556 63.200 0.003 0.000 0.859 353 S HN 0.352 nan 8.310 nan 0.000 0.514 354 P HA 0.077 nan 4.420 nan 0.000 0.230 354 P C 0.205 177.514 177.300 0.015 0.000 1.158 354 P CA 0.126 63.237 63.100 0.019 0.000 0.769 354 P CB -0.368 31.345 31.700 0.022 0.000 0.807 355 C N 1.161 120.468 119.300 0.012 0.000 2.727 355 C HA 0.291 4.751 4.460 -0.001 0.000 0.401 355 C C 1.145 176.139 174.990 0.006 0.000 1.294 355 C CA -0.573 58.447 59.018 0.004 0.000 2.134 355 C CB 0.440 28.183 27.740 0.005 0.000 2.724 355 C HN 0.223 nan 8.230 nan 0.000 0.677 356 V N 0.098 120.010 119.914 -0.003 0.000 2.960 356 V HA 0.940 5.059 4.120 -0.001 0.000 0.315 356 V C -0.044 176.073 176.094 0.037 0.000 1.087 356 V CA -0.698 61.629 62.300 0.045 0.000 0.982 356 V CB 1.459 33.327 31.823 0.075 0.000 1.039 356 V HN 1.154 nan 8.190 nan 0.000 0.437 357 A N 2.178 125.062 122.820 0.107 0.000 2.303 357 A HA 0.783 5.102 4.320 -0.001 0.000 0.317 357 A C 0.420 178.130 177.584 0.210 0.000 1.149 357 A CA -0.393 51.705 52.037 0.101 0.000 0.822 357 A CB 0.685 19.710 19.000 0.041 0.000 1.131 357 A HN 1.073 nan 8.150 nan 0.000 0.493 358 S N -0.174 115.594 115.700 0.113 0.000 2.603 358 S HA 0.635 5.105 4.470 -0.001 0.000 0.268 358 S C 0.224 174.905 174.600 0.136 0.000 1.317 358 S CA 0.245 58.498 58.200 0.088 0.000 1.012 358 S CB 1.176 64.354 63.200 -0.037 0.000 0.926 358 S HN 1.454 nan 8.310 nan 0.000 0.539 359 A N 1.217 124.065 122.820 0.047 0.000 2.549 359 A HA 0.756 5.075 4.320 -0.001 0.000 0.297 359 A C -1.756 175.622 177.584 -0.344 0.000 1.061 359 A CA -0.593 51.311 52.037 -0.222 0.000 0.690 359 A CB 1.236 20.050 19.000 -0.309 0.000 1.287 359 A HN 0.623 nan 8.150 nan 0.000 0.402 360 L N 1.748 122.652 121.223 -0.532 0.000 2.406 360 L HA 0.771 5.110 4.340 -0.001 0.000 0.270 360 L C -1.802 174.774 176.870 -0.489 0.000 0.982 360 L CA -0.335 54.299 54.840 -0.343 0.000 0.843 360 L CB 0.557 42.503 42.059 -0.189 0.000 1.225 360 L HN 0.549 nan 8.230 nan 0.000 0.412 361 F N 4.144 123.982 119.950 -0.187 0.000 2.379 361 F HA 0.714 5.241 4.527 -0.001 0.000 0.332 361 F C 0.213 175.891 175.800 -0.203 0.000 1.096 361 F CA -0.483 57.367 58.000 -0.250 0.000 1.105 361 F CB 1.762 40.572 39.000 -0.318 0.000 1.189 361 F HN 0.125 nan 8.300 nan 0.000 0.515 362 V N 1.519 121.420 119.914 -0.022 0.000 2.686 362 V HA 0.685 4.804 4.120 -0.001 0.000 0.306 362 V C -0.335 175.728 176.094 -0.053 0.000 1.065 362 V CA -0.471 61.800 62.300 -0.049 0.000 0.894 362 V CB 2.033 33.830 31.823 -0.045 0.000 1.004 362 V HN 0.898 nan 8.190 nan 0.000 0.424 363 T N 2.060 116.594 114.554 -0.032 0.000 2.762 363 T HA 0.595 4.944 4.350 -0.001 0.000 0.301 363 T C -0.556 174.202 174.700 0.097 0.000 1.299 363 T CA 0.171 62.303 62.100 0.053 0.000 1.005 363 T CB 2.025 70.957 68.868 0.106 0.000 1.377 363 T HN 1.010 nan 8.240 nan 0.000 0.504 364 S N 0.516 116.319 115.700 0.172 0.000 2.687 364 S HA 0.439 4.908 4.470 -0.001 0.000 0.283 364 S C 1.630 176.376 174.600 0.244 0.000 1.170 364 S CA 0.187 58.482 58.200 0.157 0.000 1.008 364 S CB 1.241 64.524 63.200 0.138 0.000 1.026 364 S HN 1.048 nan 8.310 nan 0.000 0.541 365 S N -0.101 115.722 115.700 0.204 0.000 2.419 365 S HA -0.180 4.289 4.470 -0.001 0.000 0.233 365 S C 1.546 176.336 174.600 0.316 0.000 1.016 365 S CA 1.113 59.483 58.200 0.284 0.000 0.974 365 S CB -0.772 62.546 63.200 0.196 0.000 0.786 365 S HN 0.857 nan 8.310 nan 0.000 0.492 366 E N 1.978 122.310 120.200 0.221 0.000 2.031 366 E HA -0.195 4.154 4.350 -0.001 0.000 0.193 366 E C 1.863 178.580 176.600 0.196 0.000 0.994 366 E CA 1.427 57.931 56.400 0.174 0.000 0.800 366 E CB -0.367 29.409 29.700 0.126 0.000 0.752 366 E HN 0.757 nan 8.360 nan 0.000 0.447 367 N N 0.072 118.927 118.700 0.257 0.000 2.244 367 N HA -0.154 4.586 4.740 -0.001 0.000 0.183 367 N C 1.570 177.241 175.510 0.269 0.000 1.016 367 N CA 0.821 54.038 53.050 0.279 0.000 0.866 367 N CB -0.240 38.473 38.487 0.377 0.000 0.980 367 N HN 0.403 nan 8.380 nan 0.000 0.430 368 W N 2.584 124.036 121.300 0.254 0.000 2.358 368 W HA -0.104 4.556 4.660 -0.001 0.000 0.303 368 W C 1.413 177.993 176.519 0.103 0.000 1.208 368 W CA 1.113 58.626 57.345 0.279 0.000 1.274 368 W CB -0.131 29.526 29.460 0.328 0.000 1.138 368 W HN 0.047 nan 8.180 nan 0.000 0.515 369 R N 0.371 120.945 120.500 0.124 0.000 2.148 369 R HA -0.104 4.236 4.340 -0.001 0.000 0.227 369 R C 2.155 178.344 176.300 -0.184 0.000 1.103 369 R CA 1.264 57.334 56.100 -0.050 0.000 0.983 369 R CB -0.204 30.136 30.300 0.066 0.000 0.874 369 R HN 0.179 nan 8.270 nan 0.000 0.451 370 K N -0.464 119.824 120.400 -0.186 0.000 2.365 370 K HA -0.014 4.305 4.320 -0.001 0.000 0.197 370 K C -0.222 175.926 176.600 -0.754 0.000 1.042 370 K CA 0.677 56.733 56.287 -0.384 0.000 0.987 370 K CB 0.242 32.540 32.500 -0.337 0.000 0.779 370 K HN 0.238 nan 8.250 nan 0.000 0.484 371 H N -0.412 118.228 119.070 -0.716 0.000 2.736 371 H HA 0.167 4.722 4.556 -0.001 0.000 0.271 371 H C -2.208 172.657 175.328 -0.771 0.000 1.184 371 H CA -2.089 53.409 56.048 -0.917 0.000 1.378 371 H CB 1.334 29.965 29.762 -1.885 0.000 1.428 371 H HN -0.088 nan 8.280 nan 0.000 0.500 372 P HA -0.138 nan 4.420 nan 0.000 0.217 372 P C 1.514 178.656 177.300 -0.263 0.000 1.151 372 P CA 1.348 64.226 63.100 -0.371 0.000 0.828 372 P CB 0.358 31.912 31.700 -0.243 0.000 0.788 373 A N -0.913 121.798 122.820 -0.183 0.000 1.986 373 A HA -0.194 4.126 4.320 -0.001 0.000 0.220 373 A C 1.735 179.376 177.584 0.095 0.000 1.171 373 A CA 1.274 53.290 52.037 -0.035 0.000 0.640 373 A CB -1.852 17.150 19.000 0.002 0.000 0.811 373 A HN 0.216 nan 8.150 nan 0.000 0.451 374 W N 0.144 121.352 121.300 -0.153 0.000 2.424 374 W HA -0.056 4.603 4.660 -0.001 0.000 0.264 374 W C 1.994 178.497 176.519 -0.026 0.000 1.229 374 W CA 0.826 58.105 57.345 -0.111 0.000 1.208 374 W CB -0.667 28.742 29.460 -0.086 0.000 1.127 374 W HN 0.666 nan 8.180 nan 0.000 0.588 375 E N 0.460 120.692 120.200 0.052 0.000 2.427 375 E HA -0.080 4.269 4.350 -0.001 0.000 0.196 375 E C 0.181 176.901 176.600 0.200 0.000 1.028 375 E CA 0.256 56.776 56.400 0.199 0.000 0.864 375 E CB 0.101 29.842 29.700 0.068 0.000 0.813 375 E HN 0.189 nan 8.360 nan 0.000 0.514 376 E N 1.692 121.976 120.200 0.141 0.000 2.373 376 E HA -0.005 4.344 4.350 -0.001 0.000 0.267 376 E C -0.274 176.412 176.600 0.144 0.000 1.032 376 E CA -0.117 56.358 56.400 0.124 0.000 0.889 376 E CB 0.905 30.661 29.700 0.094 0.000 0.984 376 E HN 0.212 nan 8.360 nan 0.000 0.425 377 E N 3.310 123.599 120.200 0.148 0.000 2.338 377 E HA 0.101 4.450 4.350 -0.001 0.000 0.272 377 E C -0.821 175.892 176.600 0.188 0.000 1.029 377 E CA -0.191 56.315 56.400 0.177 0.000 0.872 377 E CB 0.571 30.387 29.700 0.193 0.000 1.015 377 E HN 0.409 nan 8.360 nan 0.000 0.417 378 I N 5.675 126.369 120.570 0.207 0.000 2.405 378 I HA 0.144 4.314 4.170 -0.001 0.000 0.280 378 I C -0.563 175.757 176.117 0.338 0.000 1.027 378 I CA -0.869 60.573 61.300 0.237 0.000 1.161 378 I CB 0.667 38.764 38.000 0.162 0.000 1.300 378 I HN 0.576 nan 8.210 nan 0.000 0.463 379 F N 6.600 126.680 119.950 0.217 0.000 2.506 379 F HA 0.514 5.041 4.527 -0.001 0.000 0.369 379 F C 0.809 176.749 175.800 0.233 0.000 1.114 379 F CA 0.644 58.762 58.000 0.196 0.000 1.121 379 F CB -0.061 39.025 39.000 0.143 0.000 1.104 379 F HN 0.535 nan 8.300 nan 0.000 0.564 380 G N 5.830 114.480 108.800 -0.250 0.000 2.337 380 G HA2 0.129 4.089 3.960 -0.001 0.000 0.298 380 G HA3 0.129 4.089 3.960 -0.001 0.000 0.298 380 G C -3.167 171.572 174.900 -0.268 0.000 1.335 380 G CA -0.955 43.885 45.100 -0.434 0.000 0.875 380 G HN 0.225 nan 8.290 nan 0.000 0.579 381 P HA 0.132 nan 4.420 nan 0.000 0.231 381 P C -0.542 176.779 177.300 0.035 0.000 1.756 381 P CA 0.574 63.569 63.100 -0.175 0.000 0.990 381 P CB 0.510 32.076 31.700 -0.224 0.000 1.973 382 Q N 0.792 120.676 119.800 0.140 0.000 2.389 382 Q HA 0.592 4.931 4.340 -0.001 0.000 0.277 382 Q C -1.828 174.268 176.000 0.160 0.000 1.082 382 Q CA -0.647 55.290 55.803 0.223 0.000 0.810 382 Q CB 2.652 31.662 28.738 0.453 0.000 1.374 382 Q HN 0.114 nan 8.270 nan 0.000 0.422 383 S N 2.466 118.265 115.700 0.166 0.000 2.570 383 S HA 0.739 5.208 4.470 -0.001 0.000 0.270 383 S C -2.044 172.698 174.600 0.237 0.000 1.149 383 S CA -0.589 57.730 58.200 0.199 0.000 0.837 383 S CB 1.346 64.680 63.200 0.223 0.000 1.124 383 S HN 0.581 nan 8.310 nan 0.000 0.465 384 L N 3.253 124.567 121.223 0.151 0.000 2.365 384 L HA 0.758 5.098 4.340 -0.001 0.000 0.273 384 L C -1.591 175.209 176.870 -0.118 0.000 1.000 384 L CA -0.368 54.497 54.840 0.041 0.000 0.819 384 L CB 1.494 43.520 42.059 -0.055 0.000 1.284 384 L HN 0.722 nan 8.230 nan 0.000 0.418 385 I N 5.197 125.690 120.570 -0.129 0.000 2.378 385 I HA 0.433 4.602 4.170 -0.001 0.000 0.291 385 I C -0.879 175.080 176.117 -0.264 0.000 0.992 385 I CA -0.913 60.248 61.300 -0.233 0.000 1.154 385 I CB 1.928 39.858 38.000 -0.117 0.000 1.315 385 I HN 0.282 nan 8.210 nan 0.000 0.448 386 V N 7.359 127.021 119.914 -0.420 0.000 2.313 386 V HA 0.238 4.357 4.120 -0.001 0.000 0.278 386 V C 0.107 176.102 176.094 -0.166 0.000 1.017 386 V CA -0.696 61.420 62.300 -0.307 0.000 0.823 386 V CB 1.598 33.079 31.823 -0.570 0.000 1.010 386 V HN 0.387 nan 8.190 nan 0.000 0.443 387 V N 4.682 124.555 119.914 -0.068 0.000 2.455 387 V HA 0.198 4.317 4.120 -0.001 0.000 0.273 387 V C 0.378 176.478 176.094 0.009 0.000 1.045 387 V CA -0.189 62.087 62.300 -0.040 0.000 0.976 387 V CB 0.768 32.580 31.823 -0.019 0.000 0.993 387 V HN 0.958 nan 8.190 nan 0.000 0.475 388 C N 3.708 123.009 119.300 0.001 0.000 2.365 388 C HA 0.269 4.729 4.460 -0.001 0.000 0.349 388 C C 1.976 176.975 174.990 0.014 0.000 1.191 388 C CA -0.478 58.555 59.018 0.026 0.000 2.114 388 C CB 1.142 28.895 27.740 0.021 0.000 2.367 388 C HN 1.041 nan 8.230 nan 0.000 0.530 389 E N 1.638 121.856 120.200 0.029 0.000 2.077 389 E HA -0.170 4.179 4.350 -0.001 0.000 0.193 389 E C 0.448 177.056 176.600 0.014 0.000 0.989 389 E CA 1.736 58.151 56.400 0.025 0.000 0.800 389 E CB 0.179 29.899 29.700 0.034 0.000 0.746 389 E HN 0.909 nan 8.360 nan 0.000 0.452 390 N N -3.421 115.284 118.700 0.009 0.000 3.339 390 N HA 0.004 4.744 4.740 -0.001 0.000 0.275 390 N C 0.186 175.693 175.510 -0.004 0.000 1.514 390 N CA -0.125 52.929 53.050 0.006 0.000 0.879 390 N CB 0.877 39.375 38.487 0.019 0.000 1.557 390 N HN -0.188 nan 8.380 nan 0.000 0.524 391 V N -0.180 119.740 119.914 0.010 0.000 2.407 391 V HA -0.166 3.954 4.120 -0.001 0.000 0.248 391 V C 2.415 178.517 176.094 0.014 0.000 1.055 391 V CA 2.611 64.919 62.300 0.013 0.000 1.049 391 V CB -1.425 30.462 31.823 0.106 0.000 0.662 391 V HN 0.848 nan 8.190 nan 0.000 0.455 392 A N 0.038 122.871 122.820 0.022 0.000 1.933 392 A HA -0.295 4.025 4.320 -0.001 0.000 0.218 392 A C 2.076 179.665 177.584 0.008 0.000 1.175 392 A CA 2.105 54.151 52.037 0.016 0.000 0.628 392 A CB -0.633 18.378 19.000 0.019 0.000 0.814 392 A HN 0.590 nan 8.150 nan 0.000 0.444 393 D N -0.762 119.645 120.400 0.012 0.000 2.117 393 D HA -0.178 4.462 4.640 -0.001 0.000 0.198 393 D C 1.912 178.213 176.300 0.001 0.000 0.982 393 D CA 1.654 55.665 54.000 0.019 0.000 0.828 393 D CB -0.288 40.530 40.800 0.030 0.000 0.967 393 D HN 0.437 nan 8.370 nan 0.000 0.464 394 M N -0.429 119.160 119.600 -0.018 0.000 2.086 394 M HA -0.125 4.354 4.480 -0.001 0.000 0.261 394 M C 2.031 178.298 176.300 -0.054 0.000 1.067 394 M CA 1.272 56.551 55.300 -0.036 0.000 1.116 394 M CB -0.037 32.538 32.600 -0.042 0.000 1.348 394 M HN 0.075 nan 8.290 nan 0.000 0.407 395 L N -1.012 120.178 121.223 -0.056 0.000 2.083 395 L HA -0.191 4.148 4.340 -0.001 0.000 0.209 395 L C 2.687 179.523 176.870 -0.057 0.000 1.083 395 L CA 1.387 56.179 54.840 -0.081 0.000 0.752 395 L CB -0.876 41.155 42.059 -0.046 0.000 0.899 395 L HN 0.419 nan 8.230 nan 0.000 0.433 396 S N 0.310 115.995 115.700 -0.025 0.000 2.370 396 S HA -0.161 4.309 4.470 -0.001 0.000 0.226 396 S C 2.007 176.611 174.600 0.008 0.000 1.033 396 S CA 1.210 59.409 58.200 -0.001 0.000 1.011 396 S CB -0.194 63.017 63.200 0.019 0.000 0.852 396 S HN 0.326 nan 8.310 nan 0.000 0.457 397 L N 1.660 122.873 121.223 -0.016 0.000 2.093 397 L HA -0.065 4.274 4.340 -0.001 0.000 0.208 397 L C 2.856 179.706 176.870 -0.032 0.000 1.085 397 L CA 1.445 56.274 54.840 -0.018 0.000 0.755 397 L CB -0.777 41.151 42.059 -0.219 0.000 0.904 397 L HN 0.517 nan 8.230 nan 0.000 0.435 398 S N -1.010 114.652 115.700 -0.063 0.000 2.423 398 S HA -0.137 4.332 4.470 -0.001 0.000 0.231 398 S C 1.665 176.274 174.600 0.016 0.000 1.014 398 S CA 0.686 58.882 58.200 -0.007 0.000 0.965 398 S CB -0.256 62.842 63.200 -0.170 0.000 0.785 398 S HN 0.394 nan 8.310 nan 0.000 0.495 399 E N 1.018 121.221 120.200 0.006 0.000 2.338 399 E HA 0.085 4.435 4.350 -0.001 0.000 0.197 399 E C 1.414 178.042 176.600 0.046 0.000 1.007 399 E CA 0.784 57.194 56.400 0.017 0.000 0.849 399 E CB -0.229 29.476 29.700 0.008 0.000 0.774 399 E HN 0.684 nan 8.360 nan 0.000 0.506 400 M N 0.221 119.868 119.600 0.078 0.000 2.333 400 M HA 0.170 4.650 4.480 -0.001 0.000 0.257 400 M C 0.292 176.678 176.300 0.142 0.000 1.078 400 M CA -0.141 55.218 55.300 0.098 0.000 1.005 400 M CB 0.622 33.284 32.600 0.103 0.000 1.444 400 M HN -0.123 nan 8.290 nan 0.000 0.496 401 L N 0.932 122.256 121.223 0.168 0.000 2.461 401 L HA 0.273 4.612 4.340 -0.001 0.000 0.272 401 L C 0.784 177.754 176.870 0.165 0.000 1.197 401 L CA -0.644 54.328 54.840 0.219 0.000 0.836 401 L CB 0.389 42.593 42.059 0.241 0.000 1.105 401 L HN 0.149 nan 8.230 nan 0.000 0.477 402 A N 2.051 124.977 122.820 0.175 0.000 2.259 402 A HA 0.590 4.910 4.320 -0.001 0.000 0.278 402 A C 0.533 178.194 177.584 0.128 0.000 1.107 402 A CA 0.015 52.133 52.037 0.136 0.000 0.828 402 A CB 0.227 19.304 19.000 0.129 0.000 1.111 402 A HN 0.779 nan 8.150 nan 0.000 0.498 403 G N -0.470 108.393 108.800 0.106 0.000 2.484 403 G HA2 0.433 4.393 3.960 -0.001 0.000 0.235 403 G HA3 0.433 4.393 3.960 -0.001 0.000 0.235 403 G C 0.090 175.036 174.900 0.078 0.000 1.282 403 G CA 0.850 46.001 45.100 0.085 0.000 0.857 403 G HN 1.140 nan 8.290 nan 0.000 0.571 404 S N 0.672 116.420 115.700 0.079 0.000 2.556 404 S HA 0.366 4.835 4.470 -0.001 0.000 0.271 404 S C 1.152 175.787 174.600 0.059 0.000 1.135 404 S CA -0.834 57.416 58.200 0.083 0.000 0.858 404 S CB 1.291 64.569 63.200 0.130 0.000 1.114 404 S HN 0.422 nan 8.310 nan 0.000 0.468 405 L N 1.780 123.028 121.223 0.041 0.000 2.056 405 L HA 0.100 4.439 4.340 -0.001 0.000 0.207 405 L C 1.370 178.274 176.870 0.056 0.000 1.078 405 L CA 1.415 56.252 54.840 -0.005 0.000 0.749 405 L CB -0.419 41.604 42.059 -0.060 0.000 0.901 405 L HN 0.869 nan 8.230 nan 0.000 0.433 406 T N -3.319 111.297 114.554 0.103 0.000 2.864 406 T HA 0.792 5.141 4.350 -0.001 0.000 0.289 406 T C -0.885 173.904 174.700 0.149 0.000 1.082 406 T CA -0.442 61.735 62.100 0.127 0.000 1.009 406 T CB 2.576 71.535 68.868 0.152 0.000 1.234 406 T HN 0.057 nan 8.240 nan 0.000 0.526 407 A N 1.011 123.921 122.820 0.151 0.000 2.465 407 A HA 0.694 5.014 4.320 -0.001 0.000 0.292 407 A C -0.378 177.303 177.584 0.162 0.000 1.041 407 A CA -0.770 51.385 52.037 0.196 0.000 0.718 407 A CB 1.398 20.511 19.000 0.189 0.000 1.266 407 A HN 0.905 nan 8.150 nan 0.000 0.403 408 T N 2.342 117.001 114.554 0.175 0.000 2.885 408 T HA 0.731 5.080 4.350 -0.001 0.000 0.285 408 T C -0.408 174.336 174.700 0.073 0.000 1.019 408 T CA -0.219 61.906 62.100 0.042 0.000 1.010 408 T CB 1.037 69.870 68.868 -0.058 0.000 1.022 408 T HN 0.484 nan 8.240 nan 0.000 0.466 409 I N 2.249 122.745 120.570 -0.123 0.000 2.533 409 I HA 0.326 4.495 4.170 -0.001 0.000 0.290 409 I C -0.708 175.085 176.117 -0.539 0.000 1.056 409 I CA -0.859 60.392 61.300 -0.082 0.000 1.057 409 I CB 1.859 39.916 38.000 0.096 0.000 1.240 409 I HN 0.514 nan 8.210 nan 0.000 0.423 410 H N 5.204 124.168 119.070 -0.178 0.000 2.638 410 H HA 0.787 5.342 4.556 -0.001 0.000 0.317 410 H C -0.748 174.525 175.328 -0.091 0.000 1.006 410 H CA -0.350 55.525 56.048 -0.288 0.000 1.222 410 H CB 1.889 31.510 29.762 -0.235 0.000 1.419 410 H HN 0.786 nan 8.280 nan 0.000 0.489 411 A N 2.454 125.173 122.820 -0.169 0.000 2.581 411 A HA 0.644 4.963 4.320 -0.001 0.000 0.290 411 A C -0.255 177.362 177.584 0.056 0.000 1.119 411 A CA -0.500 51.526 52.037 -0.018 0.000 0.670 411 A CB 1.515 20.441 19.000 -0.123 0.000 1.280 411 A HN 0.569 nan 8.150 nan 0.000 0.425 412 T N -2.405 112.188 114.554 0.065 0.000 2.883 412 T HA 0.589 4.938 4.350 -0.001 0.000 0.284 412 T C 0.589 175.166 174.700 -0.205 0.000 1.041 412 T CA 0.054 62.171 62.100 0.028 0.000 1.007 412 T CB 1.097 69.948 68.868 -0.028 0.000 1.220 412 T HN 0.470 nan 8.240 nan 0.000 0.552 413 E N 0.611 120.483 120.200 -0.547 0.000 2.147 413 E HA -0.211 4.138 4.350 -0.001 0.000 0.199 413 E C 1.939 178.135 176.600 -0.673 0.000 1.005 413 E CA 2.022 57.727 56.400 -1.159 0.000 0.810 413 E CB -0.311 28.997 29.700 -0.654 0.000 0.736 413 E HN 0.914 nan 8.360 nan 0.000 0.460 414 E N 0.394 120.404 120.200 -0.318 0.000 2.409 414 E HA -0.192 4.158 4.350 -0.001 0.000 0.198 414 E C 0.657 177.180 176.600 -0.129 0.000 1.024 414 E CA 1.183 57.479 56.400 -0.174 0.000 0.861 414 E CB 0.062 29.704 29.700 -0.098 0.000 0.788 414 E HN 0.230 nan 8.360 nan 0.000 0.521 415 D N -0.271 120.035 120.400 -0.156 0.000 2.367 415 D HA -0.044 4.596 4.640 -0.001 0.000 0.207 415 D C 1.025 177.268 176.300 -0.094 0.000 1.034 415 D CA 0.064 53.920 54.000 -0.240 0.000 0.861 415 D CB -0.086 40.315 40.800 -0.665 0.000 0.943 415 D HN 0.198 nan 8.370 nan 0.000 0.515 416 Y N 1.093 121.281 120.300 -0.186 0.000 2.173 416 Y HA -0.168 4.382 4.550 -0.001 0.000 0.282 416 Y C -0.417 175.409 175.900 -0.124 0.000 1.192 416 Y CA 0.710 58.725 58.100 -0.142 0.000 1.176 416 Y CB -2.021 36.378 38.460 -0.101 0.000 0.969 416 Y HN 0.177 nan 8.280 nan 0.000 0.519 417 P HA -0.144 nan 4.420 nan 0.000 0.216 417 P C 1.420 178.720 177.300 0.001 0.000 1.153 417 P CA 1.898 65.010 63.100 0.020 0.000 0.848 417 P CB 0.041 31.750 31.700 0.016 0.000 0.787 418 Q N -1.088 118.710 119.800 -0.004 0.000 2.137 418 Q HA -0.043 4.297 4.340 -0.001 0.000 0.198 418 Q C 2.115 178.125 176.000 0.017 0.000 0.960 418 Q CA 0.918 56.746 55.803 0.042 0.000 0.847 418 Q CB -1.392 27.447 28.738 0.169 0.000 0.915 418 Q HN 0.049 nan 8.270 nan 0.000 0.448 419 V N 0.207 120.072 119.914 -0.082 0.000 2.392 419 V HA -0.281 3.839 4.120 -0.001 0.000 0.249 419 V C 2.023 178.064 176.094 -0.088 0.000 1.059 419 V CA 1.963 64.215 62.300 -0.080 0.000 1.051 419 V CB -0.695 31.051 31.823 -0.128 0.000 0.658 419 V HN 0.322 nan 8.190 nan 0.000 0.455 420 S N -0.904 114.739 115.700 -0.095 0.000 2.400 420 S HA -0.263 4.207 4.470 -0.001 0.000 0.232 420 S C 1.964 176.521 174.600 -0.072 0.000 1.025 420 S CA 1.508 59.651 58.200 -0.096 0.000 0.993 420 S CB -0.240 62.917 63.200 -0.073 0.000 0.808 420 S HN 0.679 nan 8.310 nan 0.000 0.478 421 Q N -0.429 119.340 119.800 -0.050 0.000 2.250 421 Q HA 0.131 4.471 4.340 -0.001 0.000 0.200 421 Q C 2.100 178.057 176.000 -0.071 0.000 0.941 421 Q CA 0.375 56.149 55.803 -0.048 0.000 0.872 421 Q CB -0.154 28.567 28.738 -0.028 0.000 0.965 421 Q HN 0.362 nan 8.270 nan 0.000 0.480 422 L N 1.064 122.237 121.223 -0.084 0.000 2.056 422 L HA -0.133 4.206 4.340 -0.001 0.000 0.207 422 L C 1.943 178.722 176.870 -0.152 0.000 1.078 422 L CA 1.466 56.212 54.840 -0.158 0.000 0.749 422 L CB -0.354 41.593 42.059 -0.187 0.000 0.901 422 L HN 0.162 nan 8.230 nan 0.000 0.433 423 I N 0.022 120.525 120.570 -0.111 0.000 2.151 423 I HA -0.265 3.904 4.170 -0.001 0.000 0.243 423 I C -0.323 175.749 176.117 -0.075 0.000 1.080 423 I CA 1.521 62.765 61.300 -0.093 0.000 1.339 423 I CB -1.584 36.354 38.000 -0.103 0.000 1.039 423 I HN 0.258 nan 8.210 nan 0.000 0.409 424 P HA -0.121 nan 4.420 nan 0.000 0.220 424 P C 1.368 178.641 177.300 -0.045 0.000 1.148 424 P CA 1.399 64.468 63.100 -0.051 0.000 0.803 424 P CB -0.034 31.637 31.700 -0.048 0.000 0.782 425 R N -0.873 119.589 120.500 -0.063 0.000 2.075 425 R HA 0.075 4.415 4.340 -0.001 0.000 0.226 425 R C 2.227 178.503 176.300 -0.040 0.000 1.114 425 R CA 0.953 57.019 56.100 -0.056 0.000 0.972 425 R CB -0.867 29.380 30.300 -0.089 0.000 0.869 425 R HN 0.220 nan 8.270 nan 0.000 0.437 426 L N 0.756 121.943 121.223 -0.060 0.000 2.217 426 L HA -0.098 4.242 4.340 -0.001 0.000 0.211 426 L C 1.964 178.840 176.870 0.011 0.000 1.107 426 L CA 1.159 55.990 54.840 -0.015 0.000 0.783 426 L CB -0.382 41.659 42.059 -0.030 0.000 0.919 426 L HN 0.233 nan 8.230 nan 0.000 0.442 427 E N 0.474 120.670 120.200 -0.006 0.000 2.153 427 E HA -0.227 4.122 4.350 -0.001 0.000 0.194 427 E C 1.879 178.486 176.600 0.012 0.000 0.988 427 E CA 1.125 57.526 56.400 0.002 0.000 0.811 427 E CB -0.013 29.679 29.700 -0.012 0.000 0.746 427 E HN 0.553 nan 8.360 nan 0.000 0.466 428 E N 0.144 120.349 120.200 0.009 0.000 2.274 428 E HA -0.123 4.226 4.350 -0.001 0.000 0.194 428 E C 1.641 178.260 176.600 0.033 0.000 0.996 428 E CA 0.769 57.179 56.400 0.016 0.000 0.840 428 E CB 0.100 29.806 29.700 0.009 0.000 0.772 428 E HN 0.366 nan 8.360 nan 0.000 0.491 429 I N -3.988 116.610 120.570 0.046 0.000 4.227 429 I HA 0.359 4.529 4.170 -0.001 0.000 0.334 429 I C 0.349 176.512 176.117 0.076 0.000 1.341 429 I CA -0.537 60.804 61.300 0.068 0.000 1.123 429 I CB 1.019 39.073 38.000 0.091 0.000 1.097 429 I HN -0.182 nan 8.210 nan 0.000 0.399 430 A N 0.539 123.400 122.820 0.068 0.000 2.454 430 A HA 0.791 5.111 4.320 -0.001 0.000 0.302 430 A C 0.926 178.543 177.584 0.055 0.000 1.079 430 A CA -0.157 51.923 52.037 0.071 0.000 0.731 430 A CB 1.090 20.145 19.000 0.093 0.000 1.299 430 A HN 0.174 nan 8.150 nan 0.000 0.413 431 G N -0.321 108.510 108.800 0.052 0.000 2.494 431 G HA2 0.267 4.226 3.960 -0.001 0.000 0.216 431 G HA3 0.267 4.226 3.960 -0.001 0.000 0.216 431 G C 0.694 175.632 174.900 0.063 0.000 1.140 431 G CA 0.590 45.720 45.100 0.049 0.000 0.801 431 G HN 0.784 nan 8.290 nan 0.000 0.536 432 R N -0.317 120.228 120.500 0.075 0.000 2.533 432 R HA 0.519 4.859 4.340 -0.001 0.000 0.288 432 R C -1.430 174.921 176.300 0.084 0.000 1.039 432 R CA -0.647 55.504 56.100 0.085 0.000 0.909 432 R CB 1.091 31.459 30.300 0.113 0.000 1.195 432 R HN 0.004 nan 8.270 nan 0.000 0.438 433 L N 4.675 125.940 121.223 0.068 0.000 2.282 433 L HA 0.556 4.895 4.340 -0.001 0.000 0.288 433 L C -0.575 176.337 176.870 0.069 0.000 1.033 433 L CA -1.178 53.703 54.840 0.067 0.000 0.807 433 L CB 1.828 43.914 42.059 0.045 0.000 1.209 433 L HN 0.328 nan 8.230 nan 0.000 0.423 434 V N 3.502 123.453 119.914 0.062 0.000 2.417 434 V HA 0.372 4.491 4.120 -0.001 0.000 0.291 434 V C -0.669 175.419 176.094 -0.011 0.000 1.024 434 V CA -0.474 61.844 62.300 0.030 0.000 0.861 434 V CB 1.930 33.755 31.823 0.003 0.000 0.985 434 V HN 0.412 nan 8.190 nan 0.000 0.436 435 F N 4.793 124.650 119.950 -0.156 0.000 2.427 435 F HA 0.517 5.043 4.527 -0.001 0.000 0.346 435 F C 0.951 176.598 175.800 -0.255 0.000 1.120 435 F CA -0.583 57.293 58.000 -0.207 0.000 1.033 435 F CB 1.083 39.997 39.000 -0.142 0.000 1.126 435 F HN 0.644 nan 8.300 nan 0.000 0.462 436 N N 3.162 121.273 118.700 -0.981 0.000 2.707 436 N HA -0.199 4.541 4.740 -0.001 0.000 0.253 436 N C -0.276 175.016 175.510 -0.363 0.000 0.998 436 N CA 1.184 53.818 53.050 -0.694 0.000 0.751 436 N CB -0.978 37.284 38.487 -0.375 0.000 0.920 436 N HN 0.980 nan 8.380 nan 0.000 0.539 437 G N -1.933 106.525 108.800 -0.569 0.000 2.619 437 G HA2 0.609 4.569 3.960 -0.001 0.000 0.305 437 G HA3 0.609 4.569 3.960 -0.001 0.000 0.305 437 G C -1.759 172.775 174.900 -0.611 0.000 1.330 437 G CA -0.923 43.993 45.100 -0.306 0.000 0.789 437 G HN 0.121 nan 8.290 nan 0.000 0.487 438 W N 0.329 121.718 121.300 0.148 0.000 2.666 438 W HA 0.514 5.173 4.660 -0.001 0.000 0.334 438 W C -1.238 175.353 176.519 0.121 0.000 1.051 438 W CA -1.847 55.593 57.345 0.160 0.000 1.224 438 W CB 2.129 31.678 29.460 0.149 0.000 1.405 438 W HN 0.404 nan 8.180 nan 0.000 0.513 439 P HA -0.165 nan 4.420 nan 0.000 0.225 439 P C 1.281 178.735 177.300 0.257 0.000 1.148 439 P CA 1.807 65.054 63.100 0.245 0.000 0.779 439 P CB -0.078 31.765 31.700 0.239 0.000 0.780 440 T N -1.463 113.241 114.554 0.250 0.000 2.635 440 T HA -0.105 4.244 4.350 -0.001 0.000 0.267 440 T C 1.495 176.374 174.700 0.299 0.000 1.040 440 T CA 1.125 63.355 62.100 0.216 0.000 1.156 440 T CB -1.692 67.134 68.868 -0.070 0.000 0.863 440 T HN 0.204 nan 8.240 nan 0.000 0.430 441 G N 1.068 110.008 108.800 0.233 0.000 2.398 441 G HA2 0.444 4.403 3.960 -0.001 0.000 0.246 441 G HA3 0.444 4.403 3.960 -0.001 0.000 0.246 441 G C -0.807 174.212 174.900 0.198 0.000 1.289 441 G CA -0.543 44.695 45.100 0.230 0.000 0.869 441 G HN 0.437 nan 8.290 nan 0.000 0.543 442 V N 3.062 123.077 119.914 0.167 0.000 2.340 442 V HA 0.157 4.277 4.120 -0.001 0.000 0.277 442 V C 0.021 176.155 176.094 0.067 0.000 1.017 442 V CA -0.825 61.539 62.300 0.108 0.000 0.820 442 V CB 1.069 32.911 31.823 0.031 0.000 1.028 442 V HN 0.860 nan 8.190 nan 0.000 0.436 443 E N 3.524 123.766 120.200 0.070 0.000 2.417 443 E HA 0.130 4.479 4.350 -0.001 0.000 0.261 443 E C -0.262 176.339 176.600 0.001 0.000 1.000 443 E CA 0.135 56.561 56.400 0.042 0.000 0.919 443 E CB 1.124 30.856 29.700 0.053 0.000 0.955 443 E HN 0.438 nan 8.360 nan 0.000 0.455 444 V N 6.045 125.939 119.914 -0.035 0.000 2.222 444 V HA 0.450 4.569 4.120 -0.001 0.000 0.253 444 V C 0.811 176.813 176.094 -0.153 0.000 1.210 444 V CA 0.470 62.709 62.300 -0.102 0.000 1.079 444 V CB 0.010 31.760 31.823 -0.122 0.000 1.265 444 V HN 0.731 nan 8.190 nan 0.000 0.494 445 G N 1.225 109.941 108.800 -0.140 0.000 3.264 445 G HA2 0.371 4.330 3.960 -0.001 0.000 0.168 445 G HA3 0.371 4.330 3.960 -0.001 0.000 0.168 445 G C -0.108 174.608 174.900 -0.307 0.000 1.145 445 G CA -0.112 44.886 45.100 -0.170 0.000 0.855 445 G HN 0.319 nan 8.290 nan 0.000 0.629 446 Y N -0.102 120.176 120.300 -0.037 0.000 2.524 446 Y HA 0.380 4.929 4.550 -0.001 0.000 0.270 446 Y C 2.686 178.593 175.900 0.012 0.000 1.094 446 Y CA 0.724 58.811 58.100 -0.022 0.000 1.276 446 Y CB 0.538 38.988 38.460 -0.017 0.000 1.130 446 Y HN 0.377 nan 8.280 nan 0.000 0.536 447 A N -0.341 122.573 122.820 0.157 0.000 2.238 447 A HA 0.141 4.461 4.320 -0.001 0.000 0.210 447 A C 0.997 178.633 177.584 0.087 0.000 1.179 447 A CA -0.142 51.962 52.037 0.112 0.000 0.827 447 A CB -0.606 18.449 19.000 0.093 0.000 0.856 447 A HN 0.240 nan 8.150 nan 0.000 0.488 448 M N 0.781 120.425 119.600 0.073 0.000 2.250 448 M HA 0.251 4.730 4.480 -0.001 0.000 0.337 448 M C -0.845 175.517 176.300 0.104 0.000 1.161 448 M CA 0.559 55.909 55.300 0.083 0.000 1.088 448 M CB 0.439 33.076 32.600 0.062 0.000 1.639 448 M HN -0.044 nan 8.290 nan 0.000 0.447 449 V N 5.898 125.888 119.914 0.126 0.000 2.398 449 V HA 0.236 4.355 4.120 -0.001 0.000 0.282 449 V C -1.409 174.796 176.094 0.184 0.000 1.014 449 V CA -0.595 61.784 62.300 0.132 0.000 0.838 449 V CB 0.798 32.678 31.823 0.095 0.000 1.018 449 V HN 0.860 nan 8.190 nan 0.000 0.432 450 H N 3.345 122.476 119.070 0.101 0.000 2.673 450 H HA 0.776 5.332 4.556 -0.001 0.000 0.293 450 H C 0.298 175.705 175.328 0.132 0.000 1.065 450 H CA 0.896 57.018 56.048 0.124 0.000 1.236 450 H CB 1.059 30.913 29.762 0.152 0.000 1.389 450 H HN 0.884 nan 8.280 nan 0.000 0.481 451 G N 2.180 110.910 108.800 -0.116 0.000 2.439 451 G HA2 0.459 4.418 3.960 -0.001 0.000 0.186 451 G HA3 0.459 4.418 3.960 -0.001 0.000 0.186 451 G C -0.180 174.713 174.900 -0.013 0.000 1.260 451 G CA -0.164 44.906 45.100 -0.050 0.000 1.020 451 G HN 1.310 nan 8.290 nan 0.000 0.470 452 G N -1.163 107.655 108.800 0.030 0.000 2.334 452 G HA2 0.503 4.462 3.960 -0.001 0.000 0.315 452 G HA3 0.503 4.462 3.960 -0.001 0.000 0.315 452 G C -3.387 171.539 174.900 0.043 0.000 1.284 452 G CA 0.145 45.264 45.100 0.033 0.000 0.985 452 G HN 0.855 nan 8.290 nan 0.000 0.504 453 P HA 0.259 nan 4.420 nan 0.000 0.269 453 P C -0.332 177.025 177.300 0.094 0.000 1.211 453 P CA -0.049 63.093 63.100 0.071 0.000 0.781 453 P CB 0.194 31.935 31.700 0.067 0.000 0.877 454 Y N 4.646 124.935 120.300 -0.018 0.000 2.702 454 Y HA 0.033 4.582 4.550 -0.001 0.000 0.336 454 Y C -1.052 174.845 175.900 -0.006 0.000 1.235 454 Y CA -0.819 57.260 58.100 -0.036 0.000 1.492 454 Y CB 0.240 38.647 38.460 -0.089 0.000 1.308 454 Y HN 0.395 nan 8.280 nan 0.000 0.589 455 P HA 0.026 nan 4.420 nan 0.000 0.249 455 P C 0.729 177.825 177.300 -0.341 0.000 1.229 455 P CA 1.101 63.712 63.100 -0.815 0.000 0.788 455 P CB 0.083 31.382 31.700 -0.669 0.000 1.072 456 A N 0.082 122.824 122.820 -0.130 0.000 1.948 456 A HA -0.087 4.232 4.320 -0.001 0.000 0.220 456 A C 1.407 178.975 177.584 -0.026 0.000 1.177 456 A CA 1.767 53.773 52.037 -0.051 0.000 0.636 456 A CB -0.784 18.209 19.000 -0.012 0.000 0.815 456 A HN 0.418 nan 8.150 nan 0.000 0.449 457 S N -3.826 111.871 115.700 -0.006 0.000 2.570 457 S HA 0.413 4.883 4.470 -0.001 0.000 0.270 457 S C 0.419 175.092 174.600 0.121 0.000 1.149 457 S CA 0.296 58.551 58.200 0.091 0.000 0.837 457 S CB 1.280 64.561 63.200 0.135 0.000 1.124 457 S HN 0.661 nan 8.310 nan 0.000 0.465 458 T N 0.031 114.702 114.554 0.196 0.000 3.107 458 T HA 0.262 4.611 4.350 -0.001 0.000 0.249 458 T C 0.201 175.049 174.700 0.247 0.000 1.096 458 T CA 0.463 62.649 62.100 0.143 0.000 1.012 458 T CB -0.440 68.457 68.868 0.049 0.000 0.977 458 T HN 0.693 nan 8.240 nan 0.000 0.527 459 H N 0.819 119.994 119.070 0.177 0.000 2.661 459 H HA 0.430 4.986 4.556 -0.001 0.000 0.243 459 H C 1.148 176.584 175.328 0.179 0.000 1.410 459 H CA -0.236 55.925 56.048 0.187 0.000 1.509 459 H CB 0.681 30.593 29.762 0.250 0.000 1.761 459 H HN 0.122 nan 8.280 nan 0.000 0.576 460 S N 1.707 117.383 115.700 -0.041 0.000 2.440 460 S HA -0.123 4.347 4.470 -0.001 0.000 0.238 460 S C 1.588 176.120 174.600 -0.113 0.000 1.010 460 S CA 0.632 58.808 58.200 -0.040 0.000 0.972 460 S CB -0.023 63.170 63.200 -0.012 0.000 0.774 460 S HN 0.579 nan 8.310 nan 0.000 0.501 461 A N 1.563 124.182 122.820 -0.335 0.000 3.074 461 A HA 0.624 4.944 4.320 -0.001 0.000 0.251 461 A C 0.612 178.141 177.584 -0.091 0.000 1.695 461 A CA 0.025 51.923 52.037 -0.232 0.000 1.343 461 A CB -0.920 17.930 19.000 -0.249 0.000 1.078 461 A HN 0.929 nan 8.150 nan 0.000 0.644 462 S N -1.281 114.440 115.700 0.036 0.000 2.663 462 S HA 0.674 5.144 4.470 -0.001 0.000 0.264 462 S C -0.711 173.952 174.600 0.105 0.000 1.112 462 S CA -0.037 58.240 58.200 0.128 0.000 0.823 462 S CB 1.232 64.617 63.200 0.309 0.000 1.111 462 S HN 0.914 nan 8.310 nan 0.000 0.476 463 T N 0.078 114.678 114.554 0.077 0.000 2.933 463 T HA 0.638 4.987 4.350 -0.001 0.000 0.305 463 T C 0.596 175.351 174.700 0.092 0.000 1.092 463 T CA 0.140 62.308 62.100 0.113 0.000 1.008 463 T CB 1.575 70.517 68.868 0.123 0.000 1.102 463 T HN 1.493 nan 8.240 nan 0.000 0.469 464 S N 2.268 118.077 115.700 0.182 0.000 2.556 464 S HA 0.402 4.871 4.470 -0.001 0.000 0.216 464 S C 0.216 174.897 174.600 0.135 0.000 0.970 464 S CA -0.215 58.091 58.200 0.177 0.000 0.912 464 S CB 0.135 63.519 63.200 0.307 0.000 0.790 464 S HN 0.499 nan 8.310 nan 0.000 0.504 465 V N 0.826 120.827 119.914 0.145 0.000 2.841 465 V HA 0.808 4.928 4.120 -0.001 0.000 0.310 465 V C 0.333 176.469 176.094 0.070 0.000 1.090 465 V CA 0.165 62.496 62.300 0.052 0.000 0.930 465 V CB 1.011 32.803 31.823 -0.051 0.000 1.014 465 V HN 0.757 nan 8.190 nan 0.000 0.425 466 G N 2.672 111.478 108.800 0.011 0.000 2.570 466 G HA2 0.350 4.310 3.960 -0.001 0.000 0.686 466 G HA3 0.350 4.310 3.960 -0.001 0.000 0.686 466 G C 0.559 175.402 174.900 -0.095 0.000 1.257 466 G CA -0.176 44.873 45.100 -0.085 0.000 0.846 466 G HN 1.628 nan 8.290 nan 0.000 0.627 467 A N -0.297 122.348 122.820 -0.292 0.000 1.986 467 A HA -0.000 4.319 4.320 -0.001 0.000 0.220 467 A C 2.000 179.645 177.584 0.101 0.000 1.171 467 A CA 2.409 54.303 52.037 -0.239 0.000 0.640 467 A CB -0.322 18.483 19.000 -0.324 0.000 0.811 467 A HN 0.750 nan 8.150 nan 0.000 0.451 468 E N -0.146 120.134 120.200 0.132 0.000 2.418 468 E HA 0.004 4.353 4.350 -0.001 0.000 0.197 468 E C 2.039 178.720 176.600 0.135 0.000 1.026 468 E CA 0.788 57.317 56.400 0.214 0.000 0.862 468 E CB -0.494 29.343 29.700 0.228 0.000 0.799 468 E HN 0.631 nan 8.360 nan 0.000 0.518 469 A N 1.245 124.150 122.820 0.141 0.000 2.070 469 A HA -0.126 4.194 4.320 -0.001 0.000 0.220 469 A C 2.175 179.683 177.584 -0.127 0.000 1.159 469 A CA 0.644 52.699 52.037 0.030 0.000 0.656 469 A CB -0.590 18.500 19.000 0.150 0.000 0.800 469 A HN 0.305 nan 8.150 nan 0.000 0.453 470 I N -1.083 119.457 120.570 -0.050 0.000 2.361 470 I HA -0.232 3.937 4.170 -0.001 0.000 0.251 470 I C 1.991 177.959 176.117 -0.248 0.000 1.133 470 I CA 1.208 62.434 61.300 -0.122 0.000 1.413 470 I CB -0.211 37.765 38.000 -0.041 0.000 1.073 470 I HN 0.417 nan 8.210 nan 0.000 0.424 471 H N 0.940 119.963 119.070 -0.079 0.000 2.521 471 H HA -0.057 4.499 4.556 -0.001 0.000 0.286 471 H C 2.087 177.254 175.328 -0.269 0.000 1.034 471 H CA 0.818 56.802 56.048 -0.107 0.000 1.278 471 H CB -0.222 29.520 29.762 -0.034 0.000 1.386 471 H HN 0.429 nan 8.280 nan 0.000 0.567 472 R N -0.080 120.079 120.500 -0.568 0.000 2.193 472 R HA -0.136 4.203 4.340 -0.001 0.000 0.229 472 R C 0.911 176.725 176.300 -0.811 0.000 1.110 472 R CA 1.272 56.731 56.100 -1.069 0.000 0.988 472 R CB -0.100 28.840 30.300 -2.266 0.000 0.871 472 R HN 0.408 nan 8.270 nan 0.000 0.458 473 W N 0.500 121.751 121.300 -0.082 0.000 3.102 473 W HA 0.343 5.002 4.660 -0.001 0.000 0.401 473 W C -0.375 176.138 176.519 -0.010 0.000 1.070 473 W CA -0.677 56.657 57.345 -0.019 0.000 1.921 473 W CB 0.351 29.777 29.460 -0.056 0.000 1.118 473 W HN -0.156 nan 8.180 nan 0.000 0.647 474 L N 1.758 123.050 121.223 0.115 0.000 2.354 474 L HA 0.714 5.053 4.340 -0.001 0.000 0.264 474 L C 0.065 176.983 176.870 0.080 0.000 1.008 474 L CA -1.397 53.489 54.840 0.077 0.000 0.819 474 L CB 2.070 44.150 42.059 0.034 0.000 1.339 474 L HN -0.085 nan 8.230 nan 0.000 0.420 475 R N 1.015 121.554 120.500 0.066 0.000 2.725 475 R HA 0.683 5.023 4.340 -0.001 0.000 0.277 475 R C -3.060 173.274 176.300 0.056 0.000 0.987 475 R CA -1.855 54.283 56.100 0.063 0.000 0.901 475 R CB 1.935 32.271 30.300 0.061 0.000 1.207 475 R HN 0.203 nan 8.270 nan 0.000 0.463 476 P HA 0.242 nan 4.420 nan 0.000 0.284 476 P C -0.841 176.477 177.300 0.030 0.000 1.258 476 P CA -0.567 62.567 63.100 0.057 0.000 0.824 476 P CB 1.690 33.422 31.700 0.053 0.000 1.038 477 V N 1.396 121.332 119.914 0.037 0.000 2.686 477 V HA 0.599 4.718 4.120 -0.001 0.000 0.306 477 V C 0.078 176.102 176.094 -0.116 0.000 1.065 477 V CA -0.864 61.382 62.300 -0.090 0.000 0.894 477 V CB 1.744 33.473 31.823 -0.156 0.000 1.004 477 V HN 0.781 nan 8.190 nan 0.000 0.424 478 A N 3.991 126.688 122.820 -0.204 0.000 2.312 478 A HA 0.890 5.210 4.320 -0.001 0.000 0.328 478 A C -1.506 175.902 177.584 -0.294 0.000 1.158 478 A CA -0.332 51.649 52.037 -0.093 0.000 0.821 478 A CB 0.688 19.668 19.000 -0.034 0.000 1.170 478 A HN 0.737 nan 8.150 nan 0.000 0.490 479 Y N 0.364 120.673 120.300 0.014 0.000 2.331 479 Y HA 0.515 5.065 4.550 0.000 0.000 0.334 479 Y C 0.211 176.117 175.900 0.010 0.000 0.960 479 Y CA -0.357 57.750 58.100 0.011 0.000 1.130 479 Y CB 1.916 40.382 38.460 0.010 0.000 1.164 479 Y HN 0.740 nan 8.280 nan 0.000 0.458 480 Q N 2.412 122.279 119.800 0.111 0.000 2.333 480 Q HA 0.587 4.926 4.340 -0.001 0.000 0.268 480 Q C 0.107 176.146 176.000 0.065 0.000 1.007 480 Q CA -0.138 55.709 55.803 0.073 0.000 0.810 480 Q CB 1.231 29.990 28.738 0.035 0.000 1.264 480 Q HN 0.970 nan 8.270 nan 0.000 0.452 481 A N 3.110 125.964 122.820 0.058 0.000 2.860 481 A HA -0.204 4.116 4.320 -0.001 0.000 0.267 481 A C -0.678 176.934 177.584 0.046 0.000 1.421 481 A CA 0.516 52.578 52.037 0.043 0.000 0.831 481 A CB -1.911 17.107 19.000 0.031 0.000 1.041 481 A HN 0.606 nan 8.150 nan 0.000 0.623 482 L N 1.129 122.391 121.223 0.064 0.000 2.417 482 L HA 0.480 4.819 4.340 -0.001 0.000 0.268 482 L C -1.034 175.855 176.870 0.031 0.000 1.158 482 L CA -1.115 53.761 54.840 0.059 0.000 0.819 482 L CB 0.223 42.338 42.059 0.092 0.000 1.112 482 L HN 0.343 nan 8.230 nan 0.000 0.458 483 P HA 0.104 nan 4.420 nan 0.000 0.274 483 P C 0.041 177.340 177.300 -0.001 0.000 1.231 483 P CA -0.453 62.653 63.100 0.010 0.000 0.790 483 P CB 0.902 32.608 31.700 0.011 0.000 0.951 484 E N 1.270 121.465 120.200 -0.008 0.000 2.108 484 E HA -0.203 4.147 4.350 -0.001 0.000 0.203 484 E C 1.836 178.422 176.600 -0.023 0.000 1.022 484 E CA 2.239 58.628 56.400 -0.019 0.000 0.823 484 E CB -0.863 28.828 29.700 -0.016 0.000 0.744 484 E HN 0.639 nan 8.360 nan 0.000 0.456 485 S N -0.029 115.663 115.700 -0.013 0.000 2.469 485 S HA -0.056 4.414 4.470 -0.001 0.000 0.238 485 S C 1.966 176.559 174.600 -0.011 0.000 0.998 485 S CA 0.659 58.852 58.200 -0.011 0.000 0.957 485 S CB -0.227 62.971 63.200 -0.004 0.000 0.764 485 S HN 0.207 nan 8.310 nan 0.000 0.514 486 L N 0.006 121.224 121.223 -0.009 0.000 2.590 486 L HA 0.428 4.768 4.340 -0.001 0.000 0.227 486 L C 0.511 177.366 176.870 -0.025 0.000 1.099 486 L CA -0.125 54.715 54.840 -0.001 0.000 0.872 486 L CB -0.067 42.005 42.059 0.023 0.000 1.088 486 L HN 0.226 nan 8.230 nan 0.000 0.479 487 L N 1.925 123.109 121.223 -0.065 0.000 2.417 487 L HA 0.226 4.566 4.340 -0.001 0.000 0.268 487 L C -1.816 174.946 176.870 -0.180 0.000 1.158 487 L CA -1.712 53.029 54.840 -0.164 0.000 0.819 487 L CB 0.497 42.462 42.059 -0.157 0.000 1.112 487 L HN -0.168 nan 8.230 nan 0.000 0.458 488 P HA 0.019 nan 4.420 nan 0.000 0.271 488 P C -0.390 176.803 177.300 -0.178 0.000 1.218 488 P CA -0.362 62.617 63.100 -0.201 0.000 0.780 488 P CB 0.861 32.413 31.700 -0.247 0.000 0.901 489 D N 1.171 121.497 120.400 -0.125 0.000 2.149 489 D HA -0.181 4.458 4.640 -0.001 0.000 0.194 489 D C 1.970 178.180 176.300 -0.149 0.000 1.001 489 D CA 2.208 56.142 54.000 -0.110 0.000 0.849 489 D CB -0.669 40.087 40.800 -0.073 0.000 0.939 489 D HN 0.498 nan 8.370 nan 0.000 0.449 490 S N -0.133 115.424 115.700 -0.237 0.000 2.419 490 S HA -0.127 4.342 4.470 -0.001 0.000 0.235 490 S C 1.865 176.350 174.600 -0.192 0.000 1.019 490 S CA 0.733 58.750 58.200 -0.305 0.000 0.982 490 S CB -0.353 62.453 63.200 -0.657 0.000 0.789 490 S HN 0.318 nan 8.310 nan 0.000 0.490 491 L N -0.110 120.999 121.223 -0.189 0.000 2.808 491 L HA 0.344 4.684 4.340 -0.001 0.000 0.246 491 L C 0.498 177.301 176.870 -0.113 0.000 1.153 491 L CA -0.292 54.459 54.840 -0.149 0.000 0.956 491 L CB 0.052 41.983 42.059 -0.214 0.000 1.270 491 L HN 0.076 nan 8.230 nan 0.000 0.528 492 K N 0.498 120.836 120.400 -0.103 0.000 2.355 492 K HA 0.172 4.491 4.320 -0.001 0.000 0.270 492 K C 1.318 177.889 176.600 -0.048 0.000 1.003 492 K CA 0.266 56.511 56.287 -0.071 0.000 0.957 492 K CB 1.397 33.860 32.500 -0.062 0.000 0.939 492 K HN 0.044 nan 8.250 nan 0.000 0.482 493 A N 3.253 126.053 122.820 -0.035 0.000 1.917 493 A HA -0.246 4.073 4.320 -0.001 0.000 0.219 493 A C 1.718 179.290 177.584 -0.020 0.000 1.182 493 A CA 2.095 54.119 52.037 -0.023 0.000 0.633 493 A CB -0.581 18.409 19.000 -0.016 0.000 0.819 493 A HN 0.917 nan 8.150 nan 0.000 0.448 494 E N -0.940 119.247 120.200 -0.021 0.000 2.511 494 E HA -0.028 4.321 4.350 -0.001 0.000 0.196 494 E C 0.460 177.049 176.600 -0.019 0.000 1.066 494 E CA 0.277 56.667 56.400 -0.017 0.000 0.871 494 E CB -0.342 29.349 29.700 -0.016 0.000 0.863 494 E HN 0.403 nan 8.360 nan 0.000 0.520 495 N N 1.651 120.335 118.700 -0.027 0.000 2.667 495 N HA -0.133 4.606 4.740 -0.001 0.000 0.263 495 N C -1.557 173.938 175.510 -0.025 0.000 1.038 495 N CA 0.774 53.806 53.050 -0.029 0.000 0.749 495 N CB -0.321 38.155 38.487 -0.019 0.000 0.892 495 N HN 0.275 nan 8.380 nan 0.000 0.546 496 P HA -0.163 nan 4.420 nan 0.000 0.219 496 P C 1.460 178.749 177.300 -0.019 0.000 1.146 496 P CA 0.959 64.046 63.100 -0.022 0.000 0.808 496 P CB 0.159 31.844 31.700 -0.025 0.000 0.779 497 L N -0.839 120.370 121.223 -0.024 0.000 2.509 497 L HA 0.091 4.430 4.340 -0.001 0.000 0.222 497 L C 0.692 177.559 176.870 -0.004 0.000 1.123 497 L CA 0.317 55.149 54.840 -0.013 0.000 0.856 497 L CB -0.951 41.096 42.059 -0.019 0.000 0.985 497 L HN -0.033 nan 8.230 nan 0.000 0.456 498 E N 1.235 121.431 120.200 -0.007 0.000 2.320 498 E HA -0.228 4.122 4.350 -0.001 0.000 0.234 498 E C -0.061 176.543 176.600 0.007 0.000 1.183 498 E CA 0.346 56.745 56.400 -0.002 0.000 0.713 498 E CB -1.506 28.193 29.700 -0.002 0.000 1.226 498 E HN 0.629 nan 8.360 nan 0.000 0.382 499 I N -3.234 117.344 120.570 0.013 0.000 2.783 499 I HA 0.671 4.840 4.170 -0.001 0.000 0.312 499 I C 0.555 176.693 176.117 0.035 0.000 0.988 499 I CA -1.048 60.274 61.300 0.036 0.000 1.182 499 I CB 1.249 39.293 38.000 0.073 0.000 1.368 499 I HN -0.021 nan 8.210 nan 0.000 0.511 500 A N 4.187 127.035 122.820 0.047 0.000 2.440 500 A HA 0.559 4.878 4.320 -0.001 0.000 0.251 500 A C 0.003 177.619 177.584 0.053 0.000 1.089 500 A CA -0.318 51.744 52.037 0.042 0.000 0.779 500 A CB 0.112 19.137 19.000 0.042 0.000 1.022 500 A HN 0.835 nan 8.150 nan 0.000 0.492 501 R N 1.025 121.548 120.500 0.038 0.000 2.651 501 R HA 0.605 4.944 4.340 -0.001 0.000 0.278 501 R C -0.935 175.384 176.300 0.031 0.000 1.010 501 R CA -0.618 55.505 56.100 0.039 0.000 0.896 501 R CB 2.406 32.721 30.300 0.025 0.000 1.211 501 R HN 0.793 nan 8.270 nan 0.000 0.456 502 A N 2.358 125.199 122.820 0.034 0.000 2.260 502 A HA 0.542 4.862 4.320 -0.001 0.000 0.308 502 A C -0.335 177.264 177.584 0.023 0.000 1.254 502 A CA -0.544 51.509 52.037 0.027 0.000 0.874 502 A CB 0.869 19.887 19.000 0.029 0.000 1.153 502 A HN 0.365 nan 8.150 nan 0.000 0.527 503 V N 3.149 123.073 119.914 0.018 0.000 2.459 503 V HA 0.281 4.401 4.120 -0.001 0.000 0.295 503 V C -0.199 175.903 176.094 0.014 0.000 1.029 503 V CA -0.527 61.782 62.300 0.016 0.000 0.874 503 V CB 1.283 33.113 31.823 0.011 0.000 0.985 503 V HN 0.998 nan 8.190 nan 0.000 0.438 504 D N 4.373 124.782 120.400 0.015 0.000 2.706 504 D HA -0.229 4.411 4.640 -0.001 0.000 0.230 504 D C 1.337 177.644 176.300 0.012 0.000 1.184 504 D CA 1.517 55.525 54.000 0.013 0.000 0.628 504 D CB -0.905 39.902 40.800 0.011 0.000 1.019 504 D HN 1.394 nan 8.370 nan 0.000 0.415 505 G N -0.659 108.150 108.800 0.014 0.000 2.205 505 G HA2 -0.367 3.592 3.960 -0.001 0.000 0.261 505 G HA3 -0.367 3.592 3.960 -0.001 0.000 0.261 505 G C 0.386 175.292 174.900 0.010 0.000 0.980 505 G CA 0.654 45.761 45.100 0.012 0.000 0.632 505 G HN 0.490 nan 8.290 nan 0.000 0.533 506 K N 1.093 121.499 120.400 0.010 0.000 2.218 506 K HA 0.633 4.952 4.320 -0.001 0.000 0.276 506 K C 0.937 177.543 176.600 0.010 0.000 1.022 506 K CA -0.012 56.280 56.287 0.009 0.000 0.946 506 K CB 1.192 33.697 32.500 0.007 0.000 1.000 506 K HN 0.585 nan 8.250 nan 0.000 0.468 507 A N 2.156 124.981 122.820 0.009 0.000 2.561 507 A HA 0.234 4.553 4.320 -0.001 0.000 0.234 507 A C 0.500 178.091 177.584 0.013 0.000 1.055 507 A CA 0.247 52.290 52.037 0.010 0.000 0.756 507 A CB -0.032 18.972 19.000 0.006 0.000 0.986 507 A HN 0.843 nan 8.150 nan 0.000 0.505 508 A N 0.000 122.831 122.820 0.018 0.000 2.254 508 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 508 A CA 0.000 52.051 52.037 0.023 0.000 0.836 508 A CB 0.000 19.021 19.000 0.035 0.000 0.831 508 A HN 0.000 nan 8.150 nan 0.000 0.486